4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C14H18ClNO3S — CID 63783143

IUPAC4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNO3S/c1-8(11-6-7-12(15)20-11)16-13(17)9-2-4-10(5-3-9)14(18)19/h6-10H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyJWVCJZJLSHVRHE-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.47
Rot. Bonds4

About 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783143) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783143
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNO3S/c1-8(11-6-7-12(15)20-11)16-13(17)9-2-4-10(5-3-9)14(18)19/h6-10H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyJWVCJZJLSHVRHE-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 43705040
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144
cis-(1S,3R)-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092124
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46575630
1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97088653
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901259
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067368
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
CID 54925184

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63783143) is 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(NC(=O)C1CCC(C(=O)O)CC1)c1ccc(Cl)s1.
What is the InChIKey of 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JWVCJZJLSHVRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-8(11-6-7-12(15)20-11)16-13(17)9-2-4-10(5-3-9)14(18)19/h6-10H,2-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 315.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).