4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C18H25NO3S — CID 120673419

IUPAC4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)Sc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3S/c1-18(2,3)23-15-10-8-14(9-11-15)19-16(20)12-4-6-13(7-5-12)17(21)22/h8-13H,4-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKYEUUIVSEAUGMG-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.41
Rot. Bonds4

About 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673419) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673419
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)Sc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3S/c1-18(2,3)23-15-10-8-14(9-11-15)19-16(20)12-4-6-13(7-5-12)17(21)22/h8-13H,4-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKYEUUIVSEAUGMG-UHFFFAOYSA-N
XLogP4.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119315518
4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788351
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229
N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119315492
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
CID 19317764
tert-butyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 158081768
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673419) is 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C)(C)Sc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KYEUUIVSEAUGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-18(2,3)23-15-10-8-14(9-11-15)19-16(20)12-4-6-13(7-5-12)17(21)22/h8-13H,4-7H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 335.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).