N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide

C16H22N2O3S — CID 46635383

IUPACN-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CC=CCC1
InChIInChI=1S/C16H22N2O3S/c1-12(13-8-10-15(11-9-13)22(17,20)21)18(2)16(19)14-6-4-3-5-7-14/h3-4,8-12,14H,5-7H2,1-2H3,(H2,17,20,21)
InChIKeyNZSPQTMKVKRCSG-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide

N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 46635383) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID46635383
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CC=CCC1
InChIInChI=1S/C16H22N2O3S/c1-12(13-8-10-15(11-9-13)22(17,20)21)18(2)16(19)14-6-4-3-5-7-14/h3-4,8-12,14H,5-7H2,1-2H3,(H2,17,20,21)
InChIKeyNZSPQTMKVKRCSG-UHFFFAOYSA-N
XLogP2.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]cyclopentanecarboxamide
CID 34737287
N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 54913063
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
CID 34737269
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
1-methyl-3-(4-methylsulfonylphenyl)-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55695530
N-[1-(4-bromophenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 163259808
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
CID 55412916
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide (CID 46635383) is N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CC=CCC1.
What is the InChIKey of N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is NZSPQTMKVKRCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12(13-8-10-15(11-9-13)22(17,20)21)18(2)16(19)14-6-4-3-5-7-14/h3-4,8-12,14H,5-7H2,1-2H3,(H2,17,20,21).
What are the key properties of N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 46635383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).