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

C20H18ClN3O2S — CID 170178381

IUPACN-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
SMILESCOc1cc(-c2cncc(-c3cc(NC(=O)C4CCC4)cs3)n2)ccc1Cl
InChIInChI=1S/C20H18ClN3O2S/c1-26-18-7-13(5-6-15(18)21)16-9-22-10-17(24-16)19-8-14(11-27-19)23-20(25)12-3-2-4-12/h5-12H,2-4H2,1H3,(H,23,25)
InChIKeyJRIDGXMQTFUHAG-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.27
Rot. Bonds5

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

N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide (PubChem CID 170178381) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
PubChem CID170178381
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
SMILESCOc1cc(-c2cncc(-c3cc(NC(=O)C4CCC4)cs3)n2)ccc1Cl
InChIInChI=1S/C20H18ClN3O2S/c1-26-18-7-13(5-6-15(18)21)16-9-22-10-17(24-16)19-8-14(11-27-19)23-20(25)12-3-2-4-12/h5-12H,2-4H2,1H3,(H,23,25)
InChIKeyJRIDGXMQTFUHAG-UHFFFAOYSA-N
XLogP5.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.90
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide 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-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 170178372
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 170178382
3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 170178111
2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178531
2-cyclopropyl-N-[5-[6-[4-[2-(dimethylamino)ethyl-methylsulfamoyl]-3-methoxyphenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178181
2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine
CID 168878472
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride
CID 168878438
2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide
CID 170177984
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide (CID 170178381) is N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide is COc1cc(-c2cncc(-c3cc(NC(=O)C4CCC4)cs3)n2)ccc1Cl.
What is the InChIKey of N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide?
The InChIKey is JRIDGXMQTFUHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-26-18-7-13(5-6-15(18)21)16-9-22-10-17(24-16)19-8-14(11-27-19)23-20(25)12-3-2-4-12/h5-12H,2-4H2,1H3,(H,23,25).
What are the key properties of N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide?
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide has a molecular weight of 399.90 g/mol, XLogP of 5.27, 5 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]cyclobutanecarboxamide is sourced from PubChem (CID 170178381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).