N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide

C16H22N2O3S — CID 134039501

IUPACN-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-17-16(19)14-5-3-2-4-6-14/h2-3,7-10,14,18H,4-6,11-12H2,1H3,(H,17,19)
InChIKeyHZXIYZZBDUUGPY-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 134039501) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID134039501
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-17-16(19)14-5-3-2-4-6-14/h2-3,7-10,14,18H,4-6,11-12H2,1H3,(H,17,19)
InChIKeyHZXIYZZBDUUGPY-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672481
1-N,1-N-dimethyl-4-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1,4-dicarboxamide
CID 55761983
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 99625988
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
(3R)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,1-dioxothiolane-3-carboxamide
CID 99940159
1-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704154
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
(3S)-1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-3-carboxamide
CID 94665231
N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26643906

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide (CID 134039501) is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)C2CC=CCC2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is HZXIYZZBDUUGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-17-16(19)14-5-3-2-4-6-14/h2-3,7-10,14,18H,4-6,11-12H2,1H3,(H,17,19).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 134039501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).