N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide

C18H29N3O3S — CID 29261731

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)n(C)c1
InChIInChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)16-13-17(20(3)14-16)18(22)19-12-11-15-9-7-6-8-10-15/h9,13-14H,4-8,10-12H2,1-3H3,(H,19,22)
InChIKeyKZSYGHSJRVAZIJ-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.68
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide (PubChem CID 29261731) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
PubChem CID29261731
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)n(C)c1
InChIInChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)16-13-17(20(3)14-16)18(22)19-12-11-15-9-7-6-8-10-15/h9,13-14H,4-8,10-12H2,1-3H3,(H,19,22)
InChIKeyKZSYGHSJRVAZIJ-UHFFFAOYSA-N
XLogP2.68
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 16574023
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369
4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 16602020
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55955220
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 50802064

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide (CID 29261731) is N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)n(C)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is KZSYGHSJRVAZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)16-13-17(20(3)14-16)18(22)19-12-11-15-9-7-6-8-10-15/h9,13-14H,4-8,10-12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 29261731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).