2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C12H14BrNO3S — CID 103978822

IUPAC2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C12H14BrNO3S/c13-7-4-8(18-6-7)5-14-11(15)9-2-1-3-10(9)12(16)17/h4,6,9-10H,1-3,5H2,(H,14,15)(H,16,17)
InChIKeyOJYZOGMBXIFAKO-UHFFFAOYSA-N
MW332.22 g/mol
LogP2.63
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978822) has the molecular formula C12H14BrNO3S and a molecular weight of 332.22 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978822
Molecular FormulaC12H14BrNO3S
Molecular Weight332.22 g/mol
Exact Mass330.99
IUPAC Name2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C12H14BrNO3S/c13-7-4-8(18-6-7)5-14-11(15)9-2-1-3-10(9)12(16)17/h4,6,9-10H,1-3,5H2,(H,14,15)(H,16,17)
InChIKeyOJYZOGMBXIFAKO-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114092399
2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731564
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834
3-amino-N-[(4-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731570
2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975664
N-[(4-bromothiophen-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47250169
2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978996
N-[(4-bromothiophen-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47250589
(2S)-1-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 125149797
1-[(4-bromothiophen-2-yl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425618

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978822) is 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is OJYZOGMBXIFAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3S/c13-7-4-8(18-6-7)5-14-11(15)9-2-1-3-10(9)12(16)17/h4,6,9-10H,1-3,5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 332.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).