N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide

C19H26N4O3S — CID 32621051

IUPACN,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3C)CC2)n(C)c1
InChIInChI=1S/C19H26N4O3S/c1-15-6-4-5-7-16(15)13-22-8-10-23(11-9-22)19(24)18-12-17(14-21(18)3)27(25,26)20-2/h4-7,12,14,20H,8-11,13H2,1-3H3
InChIKeyXCNRYGMIJBXVES-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.20
Rot. Bonds5

About N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide

N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide (PubChem CID 32621051) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide
PubChem CID32621051
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3C)CC2)n(C)c1
InChIInChI=1S/C19H26N4O3S/c1-15-6-4-5-7-16(15)13-22-8-10-23(11-9-22)19(24)18-12-17(14-21(18)3)27(25,26)20-2/h4-7,12,14,20H,8-11,13H2,1-3H3
InChIKeyXCNRYGMIJBXVES-UHFFFAOYSA-N
XLogP1.20
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide
CID 55815802
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8641874
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 8641686
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
CID 34452289
[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
CID 55478949
N-(3-methylphenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 34743760
4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 35342590
(3-chlorophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991861

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide?
The IUPAC name of N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide (CID 32621051) is N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide.
What is the SMILES notation for N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide?
The canonical SMILES for N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3C)CC2)n(C)c1.
What is the InChIKey of N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide?
The InChIKey is XCNRYGMIJBXVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-15-6-4-5-7-16(15)13-22-8-10-23(11-9-22)19(24)18-12-17(14-21(18)3)27(25,26)20-2/h4-7,12,14,20H,8-11,13H2,1-3H3.
What are the key properties of N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide?
N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 32621051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).