N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide

C20H24N2O3S — CID 51161111

IUPACN-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-8-6-7-15-22(16)26(24,25)19-13-11-17(12-14-19)20(23)21(2)18-9-4-3-5-10-18/h3-5,9-14,16H,6-8,15H2,1-2H3
InChIKeyYMHGKYIAPYUTSG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.53
Rot. Bonds4

About N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide

N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide (PubChem CID 51161111) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
PubChem CID51161111
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-8-6-7-15-22(16)26(24,25)19-13-11-17(12-14-19)20(23)21(2)18-9-4-3-5-10-18/h3-5,9-14,16H,6-8,15H2,1-2H3
InChIKeyYMHGKYIAPYUTSG-UHFFFAOYSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
CID 9479993
N-benzyl-N-methyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1168554
[2-(dimethylamino)-2-oxoethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881585
4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 55363381
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclopropane-1-carboxylic acid
CID 97337411

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The IUPAC name of N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide (CID 51161111) is N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The InChIKey is YMHGKYIAPYUTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-8-6-7-15-22(16)26(24,25)19-13-11-17(12-14-19)20(23)21(2)18-9-4-3-5-10-18/h3-5,9-14,16H,6-8,15H2,1-2H3.
What are the key properties of N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide is sourced from PubChem (CID 51161111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).