N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide

C18H21N3O5S — CID 119419992

IUPACN-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1N
InChIInChI=1S/C18H21N3O5S/c1-25-16-7-6-13(12-15(16)19)20-18(22)14-4-2-3-5-17(14)27(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22)
InChIKeyWDXDYVKLGDOLFT-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.55
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide

N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 119419992) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
PubChem CID119419992
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1N
InChIInChI=1S/C18H21N3O5S/c1-25-16-7-6-13(12-15(16)19)20-18(22)14-4-2-3-5-17(14)27(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22)
InChIKeyWDXDYVKLGDOLFT-UHFFFAOYSA-N
XLogP1.55
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 39888374
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623393
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4885170
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119419635
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413
N-dibenzofuran-3-yl-2-morpholin-4-ylsulfonylbenzamide
CID 60553696
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755749
5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 46510504

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide (CID 119419992) is N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide is COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WDXDYVKLGDOLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-16-7-6-13(12-15(16)19)20-18(22)14-4-2-3-5-17(14)27(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide?
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 119419992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).