4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide

C21H29N3O3S — CID 16602020

IUPAC4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCC2)n(C)c1
InChIInChI=1S/C21H29N3O3S/c1-4-24(5-2)28(26,27)18-14-19(23(3)15-18)20(25)22-16-21(12-9-13-21)17-10-7-6-8-11-17/h6-8,10-11,14-15H,4-5,9,12-13,16H2,1-3H3,(H,22,25)
InChIKeyLBLSEWGQOPDCBH-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.91
Rot. Bonds8

About 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide

4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide (PubChem CID 16602020) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
PubChem CID16602020
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCC2)n(C)c1
InChIInChI=1S/C21H29N3O3S/c1-4-24(5-2)28(26,27)18-14-19(23(3)15-18)20(25)22-16-21(12-9-13-21)17-10-7-6-8-11-17/h6-8,10-11,14-15H,4-5,9,12-13,16H2,1-3H3,(H,22,25)
InChIKeyLBLSEWGQOPDCBH-UHFFFAOYSA-N
XLogP2.91
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-2-fluoro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 46424060
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145597
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369
N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 55826423
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 32637125
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039
N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 29261731
1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445226
4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 16574023

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide (CID 16602020) is 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCC2)n(C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide?
The InChIKey is LBLSEWGQOPDCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-4-24(5-2)28(26,27)18-14-19(23(3)15-18)20(25)22-16-21(12-9-13-21)17-10-7-6-8-11-17/h6-8,10-11,14-15H,4-5,9,12-13,16H2,1-3H3,(H,22,25).
What are the key properties of 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide?
4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 16602020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).