1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C21H30N4O5S2 — CID 55630703

IUPAC1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1
InChIInChI=1S/C21H30N4O5S2/c1-16(2)24(4)31(27,28)18-10-8-17(9-11-18)22-21(26)20-14-19(15-23(20)3)32(29,30)25-12-6-5-7-13-25/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,22,26)
InChIKeyXNAHDXAFNQMCEX-UHFFFAOYSA-N
MW482.63 g/mol
LogP2.48
Rot. Bonds7

About 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55630703) has the molecular formula C21H30N4O5S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55630703
Molecular FormulaC21H30N4O5S2
Molecular Weight482.63 g/mol
Exact Mass482.17
IUPAC Name1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1
InChIInChI=1S/C21H30N4O5S2/c1-16(2)24(4)31(27,28)18-10-8-17(9-11-18)22-21(26)20-14-19(15-23(20)3)32(29,30)25-12-6-5-7-13-25/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,22,26)
InChIKeyXNAHDXAFNQMCEX-UHFFFAOYSA-N
XLogP2.48
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46410219
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-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46411016
1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55778849
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55635201
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24529336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55630703) is 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1.
What is the InChIKey of 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is XNAHDXAFNQMCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S2/c1-16(2)24(4)31(27,28)18-10-8-17(9-11-18)22-21(26)20-14-19(15-23(20)3)32(29,30)25-12-6-5-7-13-25/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,22,26).
What are the key properties of 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55630703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).