N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C15H19N3O4S — CID 34376886

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2cccc(OC)c2)n(C)c1
InChIInChI=1S/C15H19N3O4S/c1-16-23(20,21)13-8-14(18(2)10-13)15(19)17-9-11-5-4-6-12(7-11)22-3/h4-8,10,16H,9H2,1-3H3,(H,17,19)
InChIKeyZWSVHYVVEOPDLG-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.87
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 34376886) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID34376886
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2cccc(OC)c2)n(C)c1
InChIInChI=1S/C15H19N3O4S/c1-16-23(20,21)13-8-14(18(2)10-13)15(19)17-9-11-5-4-6-12(7-11)22-3/h4-8,10,16H,9H2,1-3H3,(H,17,19)
InChIKeyZWSVHYVVEOPDLG-UHFFFAOYSA-N
XLogP0.87
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 37485309
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 16573010
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 38262529
N-[(3-methoxyphenyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616034
N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55955665
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 32637125
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 34376886) is N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)NCc2cccc(OC)c2)n(C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is ZWSVHYVVEOPDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-16-23(20,21)13-8-14(18(2)10-13)15(19)17-9-11-5-4-6-12(7-11)22-3/h4-8,10,16H,9H2,1-3H3,(H,17,19).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 34376886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).