4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide

C15H23N3O3S — CID 70974450

IUPAC4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide
SMILESNC1CC=C(C(=O)NCCC2C=CC(S(N)(=O)=O)=CC2)CC1
InChIInChI=1S/C15H23N3O3S/c16-13-5-3-12(4-6-13)15(19)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1,3,7-8,11,13H,2,4-6,9-10,16H2,(H,18,19)(H2,17,20,21)
InChIKeyGPAQTZZEEZAZIN-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.68
Rot. Bonds5

About 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide

4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide (PubChem CID 70974450) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide
PubChem CID70974450
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide
SMILESNC1CC=C(C(=O)NCCC2C=CC(S(N)(=O)=O)=CC2)CC1
InChIInChI=1S/C15H23N3O3S/c16-13-5-3-12(4-6-13)15(19)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1,3,7-8,11,13H,2,4-6,9-10,16H2,(H,18,19)(H2,17,20,21)
InChIKeyGPAQTZZEEZAZIN-UHFFFAOYSA-N
XLogP0.68
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfinylamino)-N-(4-ethylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 70974416
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 71040545
4-(tert-butylsulfonylamino)-N-(4-ethylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 71040554
N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide
CID 134339064
N-cyclohexyl-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide
CID 142653098
N,N-diethyl-2-oxo-8a,9-dihydro-1H-benzo[cd]indole-6-sulfonamide
CID 178421074

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide (CID 70974450) is 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide is NC1CC=C(C(=O)NCCC2C=CC(S(N)(=O)=O)=CC2)CC1.
What is the InChIKey of 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide?
The InChIKey is GPAQTZZEEZAZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c16-13-5-3-12(4-6-13)15(19)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1,3,7-8,11,13H,2,4-6,9-10,16H2,(H,18,19)(H2,17,20,21).
What are the key properties of 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide?
4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-sulfamoylcyclohexa-2,4-dien-1-yl)ethyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 70974450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).