2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide

C24H32N2O3S — CID 28590537

IUPAC2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-18-13-15-26(16-14-18)30(28,29)22-12-9-19(2)23(17-22)24(27)25-20(3)10-11-21-7-5-4-6-8-21/h4-9,12,17-18,20H,10-11,13-16H2,1-3H3,(H,25,27)/t20-/m1/s1
InChIKeyPLSPCLZXHRBPRS-HXUWFJFHSA-N
MW428.60 g/mol
LogP4.17
Rot. Bonds7

About 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide

2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 28590537) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID28590537
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-18-13-15-26(16-14-18)30(28,29)22-12-9-19(2)23(17-22)24(27)25-20(3)10-11-21-7-5-4-6-8-21/h4-9,12,17-18,20H,10-11,13-16H2,1-3H3,(H,25,27)/t20-/m1/s1
InChIKeyPLSPCLZXHRBPRS-HXUWFJFHSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882575
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882561
2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99968948
6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide
CID 15999451
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43876623
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28575758
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 94018529

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 28590537) is 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is PLSPCLZXHRBPRS-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18-13-15-26(16-14-18)30(28,29)22-12-9-19(2)23(17-22)24(27)25-20(3)10-11-21-7-5-4-6-8-21/h4-9,12,17-18,20H,10-11,13-16H2,1-3H3,(H,25,27)/t20-/m1/s1.
What are the key properties of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide?
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide has a molecular weight of 428.60 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 28590537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).