N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C24H31N3O4S — CID 55614333

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C24H31N3O4S/c1-17-13-18(2)15-27(14-17)32(30,31)22-11-9-20(10-12-22)24(29)25-23-8-6-5-7-21(23)16-26(4)19(3)28/h5-12,17-18H,13-16H2,1-4H3,(H,25,29)
InChIKeySCQQOVDJKXCTGI-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.58
Rot. Bonds6

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55614333) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55614333
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C24H31N3O4S/c1-17-13-18(2)15-27(14-17)32(30,31)22-11-9-20(10-12-22)24(29)25-23-8-6-5-7-21(23)16-26(4)19(3)28/h5-12,17-18H,13-16H2,1-4H3,(H,25,29)
InChIKeySCQQOVDJKXCTGI-UHFFFAOYSA-N
XLogP3.58
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(9,10-dioxoanthracen-1-yl)benzamide
CID 92848131
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112835248
N-[(2S)-butan-2-yl]-2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]benzamide
CID 51707771
2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46543355
N-[2-(methoxymethyl)phenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55780199
N-(2,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 7788396
N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18225328
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961551
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39277380
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961549

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 55614333) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is SCQQOVDJKXCTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-17-13-18(2)15-27(14-17)32(30,31)22-11-9-20(10-12-22)24(29)25-23-8-6-5-7-21(23)16-26(4)19(3)28/h5-12,17-18H,13-16H2,1-4H3,(H,25,29).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55614333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).