4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide

C23H30N2O3S — CID 46601304

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C(C)c3ccccc3)cc2)C1
InChIInChI=1S/C23H30N2O3S/c1-17-14-18(2)16-25(15-17)29(27,28)22-12-10-21(11-13-22)23(26)24(4)19(3)20-8-6-5-7-9-20/h5-13,17-19H,14-16H2,1-4H3
InChIKeyWHLPKYSSLMNPDX-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.19
Rot. Bonds5

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide (PubChem CID 46601304) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide
PubChem CID46601304
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C(C)c3ccccc3)cc2)C1
InChIInChI=1S/C23H30N2O3S/c1-17-14-18(2)16-25(15-17)29(27,28)22-12-10-21(11-13-22)23(26)24(4)19(3)20-8-6-5-7-9-20/h5-13,17-19H,14-16H2,1-4H3
InChIKeyWHLPKYSSLMNPDX-UHFFFAOYSA-N
XLogP4.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methylbenzamide
CID 98621805
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 56501705
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 98316960
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46580547
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
methyl 2-[benzyl-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]acetate
CID 55816943

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide (CID 46601304) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C(C)c3ccccc3)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide?
The InChIKey is WHLPKYSSLMNPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-14-18(2)16-25(15-17)29(27,28)22-12-10-21(11-13-22)23(26)24(4)19(3)20-8-6-5-7-9-20/h5-13,17-19H,14-16H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide has a molecular weight of 414.57 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46601304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).