2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid

C13H16BrNO3S — CID 54901538

IUPAC2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C13H16BrNO3S/c14-10-7-6-9(19-10)12(16)15-11(13(17)18)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,15,16)(H,17,18)
InChIKeyYETJPHDJAASDFM-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.27
Rot. Bonds4

About 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid

2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid (PubChem CID 54901538) has the molecular formula C13H16BrNO3S and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
PubChem CID54901538
Molecular FormulaC13H16BrNO3S
Molecular Weight346.25 g/mol
Exact Mass345.00
IUPAC Name2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C13H16BrNO3S/c14-10-7-6-9(19-10)12(16)15-11(13(17)18)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,15,16)(H,17,18)
InChIKeyYETJPHDJAASDFM-UHFFFAOYSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromothiophene-2-carboxamide
CID 77039239
2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid
CID 115297243
5-bromo-N-cyclopentyloxythiophene-2-carboxamide
CID 83202790
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid
CID 107729315
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337
2-[(5-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64814788
2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 61013926
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
2-[(3-bromo-5-methylbenzoyl)amino]-2-cyclohexylacetic acid
CID 104850715
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid (CID 54901538) is 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid?
The InChIKey is YETJPHDJAASDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3S/c14-10-7-6-9(19-10)12(16)15-11(13(17)18)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid?
2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid has a molecular weight of 346.25 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 54901538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).