1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

C23H35N3O3S — CID 4791980

IUPAC1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCCN(CC)CCCC(C)n1c(C)cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C23H35N3O3S/c1-7-25(8-2)15-9-10-18(4)26-19(5)16-22(20(26)6)23(27)24-30(28,29)21-13-11-17(3)12-14-21/h11-14,16,18H,7-10,15H2,1-6H3,(H,24,27)
InChIKeyWUOPDFOVJKWJPZ-UHFFFAOYSA-N
MW433.62 g/mol
LogP4.22
Rot. Bonds10

About 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (PubChem CID 4791980) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
PubChem CID4791980
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCCN(CC)CCCC(C)n1c(C)cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C23H35N3O3S/c1-7-25(8-2)15-9-10-18(4)26-19(5)16-22(20(26)6)23(27)24-30(28,29)21-13-11-17(3)12-14-21/h11-14,16,18H,7-10,15H2,1-6H3,(H,24,27)
InChIKeyWUOPDFOVJKWJPZ-UHFFFAOYSA-N
XLogP4.22
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2111176
1,2,5-Trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945374
2,5-dimethyl-1-[2-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxylic acid (4-sulfamoyl-phenyl)-amide
CID 59807726
2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2318095
2-[2-(2,5-Dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7560363
2-[2-(1-Ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 8271924
2-[2-(2,5-Dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 8271970
N-{[4-(Dimethylamino)phenyl]methyl}-1,2,5-trimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 16026507
4-(azepane-1-carbonyl)-N-benzyl-N-tert-butyl-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 16026534
4-(Azepane-1-carbonyl)-N,1,2,5-tetramethyl-N-(3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 16026561
2-[2-(2,5-Dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 16314235
2,5-dimethyl-N-(2-phenylsulfanylethyl)-1-propan-2-ylpyrrole-3-carboxamide
CID 17483813

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (CID 4791980) is 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is CCN(CC)CCCC(C)n1c(C)cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The InChIKey is WUOPDFOVJKWJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-7-25(8-2)15-9-10-18(4)26-19(5)16-22(20(26)6)23(27)24-30(28,29)21-13-11-17(3)12-14-21/h11-14,16,18H,7-10,15H2,1-6H3,(H,24,27).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide has a molecular weight of 433.62 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 4791980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).