N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide

C76H78N16O4S4 — CID 157350970

IUPACN-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide
SMILESCC(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.CC(C)CC(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.CCC(C)C(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.Nc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C22H24N4OS.2C19H20N4OS.C16H14N4OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15;1-12(2)10-17(24)23-19-18(16-4-3-9-25-16)22-15(11-21-19)13-5-7-14(20)8-6-13;1-3-12(2)19(24)23-18-17(16-5-4-10-25-16)22-15(11-21-18)13-6-8-14(20)9-7-13;1-10(21)19-16-15(14-3-2-8-22-14)20-13(9-18-16)11-4-6-12(17)7-5-11/h4,7-12,14-15H,1-3,5-6,13,23H2,(H,24,26,27);3-9,11-12H,10,20H2,1-2H3,(H,21,23,24);4-12H,3,20H2,1-2H3,(H,21,23,24);2-9H,17H2,1H3,(H,18,19,21)
InChIKeyBHNISOYTQPVVTO-UHFFFAOYSA-N
MW1407.84 g/mol
LogP17.65
Rot. Bonds18

About N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide

N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide (PubChem CID 157350970) has the molecular formula C76H78N16O4S4 and a molecular weight of 1407.84 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide
PubChem CID157350970
Molecular FormulaC76H78N16O4S4
Molecular Weight1407.84 g/mol
Exact Mass1406.53
IUPAC NameN-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide
SMILESCC(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.CC(C)CC(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.CCC(C)C(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.Nc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C22H24N4OS.2C19H20N4OS.C16H14N4OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15;1-12(2)10-17(24)23-19-18(16-4-3-9-25-16)22-15(11-21-19)13-5-7-14(20)8-6-13;1-3-12(2)19(24)23-18-17(16-5-4-10-25-16)22-15(11-21-18)13-6-8-14(20)9-7-13;1-10(21)19-16-15(14-3-2-8-22-14)20-13(9-18-16)11-4-6-12(17)7-5-11/h4,7-12,14-15H,1-3,5-6,13,23H2,(H,24,26,27);3-9,11-12H,10,20H2,1-2H3,(H,21,23,24);4-12H,3,20H2,1-2H3,(H,21,23,24);2-9H,17H2,1H3,(H,18,19,21)
InChIKeyBHNISOYTQPVVTO-UHFFFAOYSA-N
XLogP17.65
TPSA323.60 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001407.84
LogP ≤ 517.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide with MolForge

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Related Compounds

2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide
CID 158302839
N-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methyl-1-benzothiophene-2-carboxamide;2-(3-ethylsulfanyl-1-benzothiophen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-benzothiophene-2-carboxamide
CID 161649774
2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;3,5-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide
CID 162224606
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-phenylacetamide
CID 68398530
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-4-phenylbutanamide
CID 68398533
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-phenylpropanamide
CID 68398553
4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 91315020
2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121273524
2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280464
2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280537
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide
CID 123810383
2-(4-phenylphenyl)-N,N'-bis[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-3-thiophen-2-ylbutanediamide
CID 123888479

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide?
The IUPAC name of N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide (CID 157350970) is N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide is CC(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.CC(C)CC(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.CCC(C)C(=O)Nc1ncc(-c2ccc(N)cc2)nc1-c1cccs1.Nc1ccc(-c2cnc(NC(=O)CC3CCCCC3)c(-c3cccs3)n2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide?
The InChIKey is BHNISOYTQPVVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS.2C19H20N4OS.C16H14N4OS/c23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15;1-12(2)10-17(24)23-19-18(16-4-3-9-25-16)22-15(11-21-19)13-5-7-14(20)8-6-13;1-3-12(2)19(24)23-18-17(16-5-4-10-25-16)22-15(11-21-18)13-6-8-14(20)9-7-13;1-10(21)19-16-15(14-3-2-8-22-14)20-13(9-18-16)11-4-6-12(17)7-5-11/h4,7-12,14-15H,1-3,5-6,13,23H2,(H,24,26,27);3-9,11-12H,10,20H2,1-2H3,(H,21,23,24);4-12H,3,20H2,1-2H3,(H,21,23,24);2-9H,17H2,1H3,(H,18,19,21).
What are the key properties of N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide?
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide has a molecular weight of 1407.84 g/mol, XLogP of 17.65, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide;N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 157350970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).