1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C20H27N3O3S — CID 51266579

IUPAC1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCC(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-3-16(17-9-5-4-6-10-17)14-21-20(24)19-13-18(15-22(19)2)27(25,26)23-11-7-8-12-23/h4-6,9-10,13,15-16H,3,7-8,11-12,14H2,1-2H3,(H,21,24)
InChIKeyLOPNGACYQJDUMF-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.73
Rot. Bonds7

About 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 51266579) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID51266579
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCC(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-3-16(17-9-5-4-6-10-17)14-21-20(24)19-13-18(15-22(19)2)27(25,26)23-11-7-8-12-23/h4-6,9-10,13,15-16H,3,7-8,11-12,14H2,1-2H3,(H,21,24)
InChIKeyLOPNGACYQJDUMF-UHFFFAOYSA-N
XLogP2.73
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43016058
N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236
1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55573958
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55452760
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide
CID 46468442
3-methyl-2-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]butanoic acid
CID 119170435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 51266579) is 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is CCC(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccccc1.
What is the InChIKey of 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is LOPNGACYQJDUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-3-16(17-9-5-4-6-10-17)14-21-20(24)19-13-18(15-22(19)2)27(25,26)23-11-7-8-12-23/h4-6,9-10,13,15-16H,3,7-8,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 51266579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).