3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide

C19H23N3O4S — CID 119677462

IUPAC3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O4S/c1-26-17-9-8-16(21-19(23)14-6-5-7-15(20)12-14)13-18(17)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23)
InChIKeyIJCMVXJKBJJZBL-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.70
Rot. Bonds5

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

3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 119677462) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID119677462
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O4S/c1-26-17-9-8-16(21-19(23)14-6-5-7-15(20)12-14)13-18(17)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23)
InChIKeyIJCMVXJKBJJZBL-UHFFFAOYSA-N
XLogP2.70
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 8890703
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide (CID 119677462) is 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is IJCMVXJKBJJZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-17-9-8-16(21-19(23)14-6-5-7-15(20)12-14)13-18(17)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide?
3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 119677462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).