4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide

C18H28N2O3S — CID 8923305

IUPAC4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)C(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H28N2O3S/c1-13(2)15(4)19-18(21)16-9-8-14(3)17(12-16)24(22,23)20-10-6-5-7-11-20/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyZUFULIZHAMGMJO-OAHLLOKOSA-N
MW352.50 g/mol
LogP2.94
Rot. Bonds5

About 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide

4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 8923305) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID8923305
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)C(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H28N2O3S/c1-13(2)15(4)19-18(21)16-9-8-14(3)17(12-16)24(22,23)20-10-6-5-7-11-20/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyZUFULIZHAMGMJO-OAHLLOKOSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-3-methylbutan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8923234
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 28635502
4-methyl-3-pyrrolidin-1-ylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217956
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 119588472
4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43875754
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-[1-(4-ethylphenyl)ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 133166385
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide (CID 8923305) is 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZUFULIZHAMGMJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-13(2)15(4)19-18(21)16-9-8-14(3)17(12-16)24(22,23)20-10-6-5-7-11-20/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 352.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8923305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).