N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide

C20H20ClN3O2S — CID 170178382

IUPACN-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
SMILESCCCCC(=O)Nc1csc(-c2cncc(-c3ccc(Cl)c(OC)c3)n2)c1
InChIInChI=1S/C20H20ClN3O2S/c1-3-4-5-20(25)23-14-9-19(27-12-14)17-11-22-10-16(24-17)13-6-7-15(21)18(8-13)26-2/h6-12H,3-5H2,1-2H3,(H,23,25)
InChIKeySEILFRKDFADPNN-UHFFFAOYSA-N
MW401.92 g/mol
LogP5.66
Rot. Bonds7

About N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide

N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide (PubChem CID 170178382) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
PubChem CID170178382
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC NameN-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
SMILESCCCCC(=O)Nc1csc(-c2cncc(-c3ccc(Cl)c(OC)c3)n2)c1
InChIInChI=1S/C20H20ClN3O2S/c1-3-4-5-20(25)23-14-9-19(27-12-14)17-11-22-10-16(24-17)13-6-7-15(21)18(8-13)26-2/h6-12H,3-5H2,1-2H3,(H,23,25)
InChIKeySEILFRKDFADPNN-UHFFFAOYSA-N
XLogP5.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.92
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide
CID 170177984
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
CID 170178381
N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 170178372
N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 168878475
2-cyclopropyl-N-[5-[6-[4-[2-(dimethylamino)ethyl-methylsulfamoyl]-3-methoxyphenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178181
2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178531
4-[6-[4-[(2-cyclobutylacetyl)amino]thiophen-2-yl]pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylbenzamide
CID 170178074
N-(5-chlorothiophen-3-yl)pentanamide
CID 130711050
N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
CID 112984141
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
4-(2,4-dichlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19183987

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide?
The IUPAC name of N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide (CID 170178382) is N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide.
What is the SMILES notation for N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide?
The canonical SMILES for N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide is CCCCC(=O)Nc1csc(-c2cncc(-c3ccc(Cl)c(OC)c3)n2)c1.
What is the InChIKey of N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide?
The InChIKey is SEILFRKDFADPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-3-4-5-20(25)23-14-9-19(27-12-14)17-11-22-10-16(24-17)13-6-7-15(21)18(8-13)26-2/h6-12H,3-5H2,1-2H3,(H,23,25).
What are the key properties of N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide?
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide has a molecular weight of 401.92 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide is sourced from PubChem (CID 170178382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).