3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

C24H31N3O3S — CID 56556170

IUPAC3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)cc2)C1
InChIInChI=1S/C24H31N3O3S/c1-18-13-15-26(17-18)22-11-9-21(10-12-22)25-24(28)20-7-5-8-23(16-20)31(29,30)27-14-4-3-6-19(27)2/h5,7-12,16,18-19H,3-4,6,13-15,17H2,1-2H3,(H,25,28)
InChIKeyAYGAVLKCTZCVNB-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.35
Rot. Bonds5

About 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (PubChem CID 56556170) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
PubChem CID56556170
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)cc2)C1
InChIInChI=1S/C24H31N3O3S/c1-18-13-15-26(17-18)22-11-9-21(10-12-22)25-24(28)20-7-5-8-23(16-20)31(29,30)27-14-4-3-6-19(27)2/h5,7-12,16,18-19H,3-4,6,13-15,17H2,1-2H3,(H,25,28)
InChIKeyAYGAVLKCTZCVNB-UHFFFAOYSA-N
XLogP4.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559304
N-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112759122
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-(4-chloro-3-nitrophenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55363490
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55979789
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 26200344
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (CID 56556170) is 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is CC1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)cc2)C1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is AYGAVLKCTZCVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-13-15-26(17-18)22-11-9-21(10-12-22)25-24(28)20-7-5-8-23(16-20)31(29,30)27-14-4-3-6-19(27)2/h5,7-12,16,18-19H,3-4,6,13-15,17H2,1-2H3,(H,25,28).
What are the key properties of 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 441.60 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 56556170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).