2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide

C14H18Cl2N2O2S — CID 71922038

IUPAC2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NC(=O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C14H18Cl2N2O2S/c15-11-7-8(13(16)21-11)3-1-6-12(19)18-10-5-2-4-9(10)14(17)20/h7,9-10H,1-6H2,(H2,17,20)(H,18,19)
InChIKeyVZVILRVZSJAJBB-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.15
Rot. Bonds6

About 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide

2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide (PubChem CID 71922038) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide
PubChem CID71922038
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC Name2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NC(=O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C14H18Cl2N2O2S/c15-11-7-8(13(16)21-11)3-1-6-12(19)18-10-5-2-4-9(10)14(17)20/h7,9-10H,1-6H2,(H2,17,20)(H,18,19)
InChIKeyVZVILRVZSJAJBB-UHFFFAOYSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide
CID 100756279
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514202
2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790685
4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide
CID 71971792
cis-(1R,2S)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
CID 96528414
2-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 71989735
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide
CID 96519273
2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977123
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
(2R)-2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119368098

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide (CID 71922038) is 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide is NC(=O)C1CCCC1NC(=O)CCCc1cc(Cl)sc1Cl.
What is the InChIKey of 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide?
The InChIKey is VZVILRVZSJAJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2S/c15-11-7-8(13(16)21-11)3-1-6-12(19)18-10-5-2-4-9(10)14(17)20/h7,9-10H,1-6H2,(H2,17,20)(H,18,19).
What are the key properties of 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide?
2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide has a molecular weight of 349.28 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 71922038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).