N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide

C16H20N2O3S — CID 42888967

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CC=CCC1
InChIInChI=1S/C16H20N2O3S/c19-16(12-5-2-1-3-6-12)17-14-7-4-8-15(11-14)22(20,21)18-13-9-10-13/h1-2,4,7-8,11-13,18H,3,5-6,9-10H2,(H,17,19)
InChIKeyKUSYTMLXPVVACU-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.42
Rot. Bonds5

About N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide

N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 42888967) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID42888967
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CC=CCC1
InChIInChI=1S/C16H20N2O3S/c19-16(12-5-2-1-3-6-12)17-14-7-4-8-15(11-14)22(20,21)18-13-9-10-13/h1-2,4,7-8,11-13,18H,3,5-6,9-10H2,(H,17,19)
InChIKeyKUSYTMLXPVVACU-UHFFFAOYSA-N
XLogP2.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 26975857
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711574
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 33310480
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51296179
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide (CID 42888967) is N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CC=CCC1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is KUSYTMLXPVVACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-16(12-5-2-1-3-6-12)17-14-7-4-8-15(11-14)22(20,21)18-13-9-10-13/h1-2,4,7-8,11-13,18H,3,5-6,9-10H2,(H,17,19).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42888967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).