4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H21NO3S — CID 119229187

IUPAC4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2ccsc2C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-12-2-4-13(5-3-12)16-10-11-24-17(16)18(21)20-15-8-6-14(7-9-15)19(22)23/h2-5,10-11,14-15H,6-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyQRYULQYMDXEJPA-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.10
Rot. Bonds4

About 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229187) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229187
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2ccsc2C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-12-2-4-13(5-3-12)16-10-11-24-17(16)18(21)20-15-8-6-14(7-9-15)19(22)23/h2-5,10-11,14-15H,6-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyQRYULQYMDXEJPA-UHFFFAOYSA-N
XLogP4.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 97235885
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55805558
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230033
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 86937525
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
CID 95574609
N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
CID 99778789
3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 51206987
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 94815316
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
CID 120948558

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 119229187) is 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1ccc(-c2ccsc2C(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QRYULQYMDXEJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-12-2-4-13(5-3-12)16-10-11-24-17(16)18(21)20-15-8-6-14(7-9-15)19(22)23/h2-5,10-11,14-15H,6-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 343.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).