N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide

C23H19N3O2S3 — CID 58621943

IUPACN-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide
SMILESCOc1cc(Sc2ccnc3ccsc23)ccc1NC(=S)NC(=O)Cc1ccccc1
InChIInChI=1S/C23H19N3O2S3/c1-28-19-14-16(31-20-9-11-24-18-10-12-30-22(18)20)7-8-17(19)25-23(29)26-21(27)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,25,26,27,29)
InChIKeyXXHKPNXEXMFBNM-UHFFFAOYSA-N
MW465.63 g/mol
LogP5.51
Rot. Bonds6

About N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide

N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 58621943) has the molecular formula C23H19N3O2S3 and a molecular weight of 465.63 g/mol. Its IUPAC name is N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID58621943
Molecular FormulaC23H19N3O2S3
Molecular Weight465.63 g/mol
Exact Mass465.06
IUPAC NameN-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide
SMILESCOc1cc(Sc2ccnc3ccsc23)ccc1NC(=S)NC(=O)Cc1ccccc1
InChIInChI=1S/C23H19N3O2S3/c1-28-19-14-16(31-20-9-11-24-18-10-12-30-22(18)20)7-8-17(19)25-23(29)26-21(27)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,25,26,27,29)
InChIKeyXXHKPNXEXMFBNM-UHFFFAOYSA-N
XLogP5.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.63
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide
CID 166361501
2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151053
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methylphenyl]carbamothioyl]-2-phenylacetamide
CID 87654266
N-[[3-fluoro-4-[2-(2-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
CID 59424683
N-[[5-chloro-6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]carbamothioyl]-2-phenylacetamide
CID 118612183
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methoxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59011630
N-[(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamothioyl]-2-thiophen-2-ylacetamide
CID 86604181
2-(4-fluorophenyl)-N-[[2-methoxy-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]acetamide
CID 25269561
2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
CID 17131022
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide
CID 87651828
N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide
CID 1428034
N-[[3-fluoro-4-[[6-methoxy-7-[(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methoxy]quinolin-4-yl]amino]phenyl]carbamothioyl]-2-phenylacetamide
CID 118612148

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide (CID 58621943) is N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide is COc1cc(Sc2ccnc3ccsc23)ccc1NC(=S)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is XXHKPNXEXMFBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S3/c1-28-19-14-16(31-20-9-11-24-18-10-12-30-22(18)20)7-8-17(19)25-23(29)26-21(27)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,25,26,27,29).
What are the key properties of N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide?
N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 465.63 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-thieno[3,2-b]pyridin-7-ylsulfanylphenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 58621943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).