4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide

C24H32N2O3S — CID 43875754

IUPAC4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H32N2O3S/c1-18(2)16-22(20-10-6-4-7-11-20)25-24(27)21-13-12-19(3)23(17-21)30(28,29)26-14-8-5-9-15-26/h4,6-7,10-13,17-18,22H,5,8-9,14-16H2,1-3H3,(H,25,27)
InChIKeyGQKKSYDEGHVPPV-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.69
Rot. Bonds7

About 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide

4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 43875754) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID43875754
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H32N2O3S/c1-18(2)16-22(20-10-6-4-7-11-20)25-24(27)21-13-12-19(3)23(17-21)30(28,29)26-14-8-5-9-15-26/h4,6-7,10-13,17-18,22H,5,8-9,14-16H2,1-3H3,(H,25,27)
InChIKeyGQKKSYDEGHVPPV-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43876229
4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30399892
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 119588472
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
3-(azepan-1-ylsulfonyl)-4-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191357
2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
N-[1-(4-ethylphenyl)ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 133166385
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzamide
CID 100531608
4-methyl-3-pyrrolidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide (CID 43875754) is 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GQKKSYDEGHVPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18(2)16-22(20-10-6-4-7-11-20)25-24(27)21-13-12-19(3)23(17-21)30(28,29)26-14-8-5-9-15-26/h4,6-7,10-13,17-18,22H,5,8-9,14-16H2,1-3H3,(H,25,27).
What are the key properties of 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 428.60 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43875754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).