N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C19H24N4O4S — CID 46409717

IUPACN-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)c1
InChIInChI=1S/C19H24N4O4S/c1-14(24)20-15-7-6-8-16(11-15)21-19(25)18-12-17(13-22(18)2)28(26,27)23-9-4-3-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNZBYDFSNRXRYNI-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.41
Rot. Bonds5

About N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 46409717) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID46409717
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)c1
InChIInChI=1S/C19H24N4O4S/c1-14(24)20-15-7-6-8-16(11-15)21-19(25)18-12-17(13-22(18)2)28(26,27)23-9-4-3-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNZBYDFSNRXRYNI-UHFFFAOYSA-N
XLogP2.41
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55573958
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55630703
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide
CID 53087280
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24529336
N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46411016
N-[4-(3-fluorophenoxy)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 60538255

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 46409717) is N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is NZBYDFSNRXRYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-14(24)20-15-7-6-8-16(11-15)21-19(25)18-12-17(13-22(18)2)28(26,27)23-9-4-3-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 46409717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).