3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide

C23H30N2O3S — CID 26085984

IUPAC3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-15-10-18(4)22(19(5)11-15)24-23(26)20-7-6-8-21(12-20)29(27,28)25-13-16(2)9-17(3)14-25/h6-8,10-12,16-17H,9,13-14H2,1-5H3,(H,24,26)/t16-,17+
InChIKeySNGCBYIIWKANDS-CALCHBBNSA-N
MW414.57 g/mol
LogP4.53
Rot. Bonds4

About 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide

3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 26085984) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID26085984
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-15-10-18(4)22(19(5)11-15)24-23(26)20-7-6-8-21(12-20)29(27,28)25-13-16(2)9-17(3)14-25/h6-8,10-12,16-17H,9,13-14H2,1-5H3,(H,24,26)/t16-,17+
InChIKeySNGCBYIIWKANDS-CALCHBBNSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2347527
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
N-(4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46797436
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2425187
3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446
N-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide
CID 60537681
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811955
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 55347661
N-[4-(difluoromethoxy)phenyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 26524631
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 40896968

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide (CID 26085984) is 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c(C)c1.
What is the InChIKey of 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is SNGCBYIIWKANDS-CALCHBBNSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-15-10-18(4)22(19(5)11-15)24-23(26)20-7-6-8-21(12-20)29(27,28)25-13-16(2)9-17(3)14-25/h6-8,10-12,16-17H,9,13-14H2,1-5H3,(H,24,26)/t16-,17+.
What are the key properties of 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 414.57 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 26085984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).