N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide

C19H25N3O3S — CID 55925471

IUPACN,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCC2CCc2ccccc2)n(C)c1
InChIInChI=1S/C19H25N3O3S/c1-20-26(24,25)17-13-18(21(2)14-17)19(23)22-12-6-9-16(22)11-10-15-7-4-3-5-8-15/h3-5,7-8,13-14,16,20H,6,9-12H2,1-2H3
InChIKeyQJYMSZQCNHXCTG-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.17
Rot. Bonds6

About N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide

N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide (PubChem CID 55925471) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide
PubChem CID55925471
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCC2CCc2ccccc2)n(C)c1
InChIInChI=1S/C19H25N3O3S/c1-20-26(24,25)17-13-18(21(2)14-17)19(23)22-12-6-9-16(22)11-10-15-7-4-3-5-8-15/h3-5,7-8,13-14,16,20H,6,9-12H2,1-2H3
InChIKeyQJYMSZQCNHXCTG-UHFFFAOYSA-N
XLogP2.17
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55924570
(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 95578829
N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55655524
1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 94616102
(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 61106055
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55876771
N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
CID 55925214
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide
CID 55815802

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide?
The IUPAC name of N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide (CID 55925471) is N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide.
What is the SMILES notation for N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide?
The canonical SMILES for N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCCC2CCc2ccccc2)n(C)c1.
What is the InChIKey of N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide?
The InChIKey is QJYMSZQCNHXCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-20-26(24,25)17-13-18(21(2)14-17)19(23)22-12-6-9-16(22)11-10-15-7-4-3-5-8-15/h3-5,7-8,13-14,16,20H,6,9-12H2,1-2H3.
What are the key properties of N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide?
N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 55925471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).