4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid

C17H24N2O5S — CID 120672481

IUPAC4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-12-2-8-15(9-3-12)25(23,24)19-11-10-18-16(20)13-4-6-14(7-5-13)17(21)22/h2-3,8-9,13-14,19H,4-7,10-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyTXKPWKBPJDALTA-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.28
Rot. Bonds7

About 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672481) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672481
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-12-2-8-15(9-3-12)25(23,24)19-11-10-18-16(20)13-4-6-14(7-5-13)17(21)22/h2-3,8-9,13-14,19H,4-7,10-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyTXKPWKBPJDALTA-UHFFFAOYSA-N
XLogP1.28
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501
1-N,1-N-dimethyl-4-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1,4-dicarboxamide
CID 55761983
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-[2-[[4-(cyanomethyl)phenyl]sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115671890
(3S)-1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-3-carboxamide
CID 94665231
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
5-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122079
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672481) is 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is TXKPWKBPJDALTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12-2-8-15(9-3-12)25(23,24)19-11-10-18-16(20)13-4-6-14(7-5-13)17(21)22/h2-3,8-9,13-14,19H,4-7,10-11H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 368.46 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).