N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C19H23N3O4S — CID 119612678

IUPACN-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(CN)C3CC3)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-16-9-7-15(8-10-16)22-27(24,25)17-4-2-3-14(11-17)19(23)21-18(12-20)13-5-6-13/h2-4,7-11,13,18,22H,5-6,12,20H2,1H3,(H,21,23)
InChIKeyIINLZNLUIVCGNT-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.96
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 119612678) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID119612678
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(CN)C3CC3)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-16-9-7-15(8-10-16)22-27(24,25)17-4-2-3-14(11-17)19(23)21-18(12-20)13-5-6-13/h2-4,7-11,13,18,22H,5-6,12,20H2,1H3,(H,21,23)
InChIKeyIINLZNLUIVCGNT-UHFFFAOYSA-N
XLogP1.96
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119612677
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119591529
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853826
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 119612678) is N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(CN)C3CC3)c2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is IINLZNLUIVCGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-16-9-7-15(8-10-16)22-27(24,25)17-4-2-3-14(11-17)19(23)21-18(12-20)13-5-6-13/h2-4,7-11,13,18,22H,5-6,12,20H2,1H3,(H,21,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 119612678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).