N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide

C18H24N4O4S — CID 32637125

IUPACN-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(C(N)=O)c2)n(C)c1
InChIInChI=1S/C18H24N4O4S/c1-4-22(5-2)27(25,26)15-10-16(21(3)12-15)18(24)20-11-13-7-6-8-14(9-13)17(19)23/h6-10,12H,4-5,11H2,1-3H3,(H2,19,23)(H,20,24)
InChIKeyAKASGEDRGWZASB-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.08
Rot. Bonds8

About N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide

N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide (PubChem CID 32637125) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
PubChem CID32637125
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(C(N)=O)c2)n(C)c1
InChIInChI=1S/C18H24N4O4S/c1-4-22(5-2)27(25,26)15-10-16(21(3)12-15)18(24)20-11-13-7-6-8-14(9-13)17(19)23/h6-10,12H,4-5,11H2,1-3H3,(H2,19,23)(H,20,24)
InChIKeyAKASGEDRGWZASB-UHFFFAOYSA-N
XLogP1.08
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 16602020
4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 47065074
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369
4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 54878609
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 33022275
4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 16574023
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
CID 119691040
4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
CID 60954543

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide (CID 32637125) is N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(C(N)=O)c2)n(C)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is AKASGEDRGWZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-22(5-2)27(25,26)15-10-16(21(3)12-15)18(24)20-11-13-7-6-8-14(9-13)17(19)23/h6-10,12H,4-5,11H2,1-3H3,(H2,19,23)(H,20,24).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 32637125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).