2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

C19H23N3O3S — CID 119943663

IUPAC2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O3S/c1-14-9-10-15(21-19(23)16-7-3-4-8-17(16)20)13-18(14)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23)
InChIKeyYIFULSJHNSYQEF-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.00
Rot. Bonds4

About 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 119943663) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID119943663
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O3S/c1-14-9-10-15(21-19(23)16-7-3-4-8-17(16)20)13-18(14)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23)
InChIKeyYIFULSJHNSYQEF-UHFFFAOYSA-N
XLogP3.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 120616618
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 155781281
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 32739299
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (CID 119943663) is 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2N)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is YIFULSJHNSYQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-9-10-15(21-19(23)16-7-3-4-8-17(16)20)13-18(14)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 119943663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).