N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide

C22H20ClN3O3S — CID 18453267

IUPACN-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide
SMILESO=C(NC1CCCC1CC(=O)c1ccc(Cl)s1)c1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C22H20ClN3O3S/c23-20-9-8-19(30-20)18(27)12-15-2-1-3-17(15)25-22(29)14-4-6-16(7-5-14)26-11-10-24-13-21(26)28/h4-11,13,15,17H,1-3,12H2,(H,25,29)
InChIKeyUMPNHMAVDHNEQF-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.12
Rot. Bonds6

About N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide

N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide (PubChem CID 18453267) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide
PubChem CID18453267
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC NameN-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide
SMILESO=C(NC1CCCC1CC(=O)c1ccc(Cl)s1)c1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C22H20ClN3O3S/c23-20-9-8-19(30-20)18(27)12-15-2-1-3-17(15)25-22(29)14-4-6-16(7-5-14)26-11-10-24-13-21(26)28/h4-11,13,15,17H,1-3,12H2,(H,25,29)
InChIKeyUMPNHMAVDHNEQF-UHFFFAOYSA-N
XLogP4.12
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide 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

5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide;sulfane
CID 169424051
5-chloro-N-[(3R,4S)-1-methyl-4-[[4-(2-oxopyrazin-1-yl)benzoyl]amino]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 159112847
5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide
CID 157373957
5-chloro-N-[2-[[4-(2-oxopyrazin-1-yl)phenyl]sulfamoyl]ethyl]thiophene-2-carboxamide
CID 134154940
5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide
CID 72981087
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
CID 67308477
5-chloro-N-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318
N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 18453260
5-chloro-N-[(1R,2S)-2-[[3-methyl-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 11465236
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide?
The IUPAC name of N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide (CID 18453267) is N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide.
What is the SMILES notation for N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide?
The canonical SMILES for N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide is O=C(NC1CCCC1CC(=O)c1ccc(Cl)s1)c1ccc(-n2ccncc2=O)cc1.
What is the InChIKey of N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide?
The InChIKey is UMPNHMAVDHNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c23-20-9-8-19(30-20)18(27)12-15-2-1-3-17(15)25-22(29)14-4-6-16(7-5-14)26-11-10-24-13-21(26)28/h4-11,13,15,17H,1-3,12H2,(H,25,29).
What are the key properties of N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide?
N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide has a molecular weight of 441.94 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide is sourced from PubChem (CID 18453267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).