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

C21H25N3O4S — CID 7914517

IUPACN-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H25N3O4S/c1-15-9-10-17(13-20(15)29(27,28)24-11-4-3-5-12-24)21(26)23-19-8-6-7-18(14-19)22-16(2)25/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKVHNSHOUFUZCIR-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.38
Rot. Bonds5

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

N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 7914517) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID7914517
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H25N3O4S/c1-15-9-10-17(13-20(15)29(27,28)24-11-4-3-5-12-24)21(26)23-19-8-6-7-18(14-19)22-16(2)25/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKVHNSHOUFUZCIR-UHFFFAOYSA-N
XLogP3.38
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38009333
4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4798285
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 32638426
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55817472
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 7914517) is N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KVHNSHOUFUZCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-9-10-17(13-20(15)29(27,28)24-11-4-3-5-12-24)21(26)23-19-8-6-7-18(14-19)22-16(2)25/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7914517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).