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

C20H23N3O4S — CID 8885356

IUPACN-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23N3O4S/c1-14-5-6-16(13-18(14)28(26,27)23-11-3-2-4-12-23)20(25)22-17-9-7-15(8-10-17)19(21)24/h5-10,13H,2-4,11-12H2,1H3,(H2,21,24)(H,22,25)
InChIKeyNRLUKBBNSOZQGW-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.52
Rot. Bonds5

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

N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 8885356) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID8885356
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23N3O4S/c1-14-5-6-16(13-18(14)28(26,27)23-11-3-2-4-12-23)20(25)22-17-9-7-15(8-10-17)19(21)24/h5-10,13H,2-4,11-12H2,1H3,(H2,21,24)(H,22,25)
InChIKeyNRLUKBBNSOZQGW-UHFFFAOYSA-N
XLogP2.52
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
4-methyl-N-(4-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2876490
N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119516416
N-[4-[(2R)-butan-2-yl]phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7935740
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38009333
N-(2-carbamoylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 50946665

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 8885356) is N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NRLUKBBNSOZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-5-6-16(13-18(14)28(26,27)23-11-3-2-4-12-23)20(25)22-17-9-7-15(8-10-17)19(21)24/h5-10,13H,2-4,11-12H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 401.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8885356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).