1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C24H28N4O3S — CID 55778849

IUPAC1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCN(c1ccccc1)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C
InChIInChI=1S/C24H28N4O3S/c1-26-18-20(32(30,31)28-15-9-4-10-16-28)17-23(26)24(29)25-21-13-7-8-14-22(21)27(2)19-11-5-3-6-12-19/h3,5-8,11-14,17-18H,4,9-10,15-16H2,1-2H3,(H,25,29)
InChIKeyWXXYELDEBYLDBA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.22
Rot. Bonds6

About 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55778849) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55778849
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCN(c1ccccc1)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C
InChIInChI=1S/C24H28N4O3S/c1-26-18-20(32(30,31)28-15-9-4-10-16-28)17-23(26)24(29)25-21-13-7-8-14-22(21)27(2)19-11-5-3-6-12-19/h3,5-8,11-14,17-18H,4,9-10,15-16H2,1-2H3,(H,25,29)
InChIKeyWXXYELDEBYLDBA-UHFFFAOYSA-N
XLogP4.22
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
1-methyl-N-(1-methyl-2-oxo-3-pyridinyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 75421055
N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 86821808
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55452760
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55630703
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
N-(4-chloro-2-fluorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087240
N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028674
N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236
N-(2-methoxyphenyl)-N,1-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 22519031

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55778849) is 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is CN(c1ccccc1)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C.
What is the InChIKey of 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is WXXYELDEBYLDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-26-18-20(32(30,31)28-15-9-4-10-16-28)17-23(26)24(29)25-21-13-7-8-14-22(21)27(2)19-11-5-3-6-12-19/h3,5-8,11-14,17-18H,4,9-10,15-16H2,1-2H3,(H,25,29).
What are the key properties of 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55778849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).