N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

C18H21N3O4S — CID 120569275

IUPACN-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C18H21N3O4S/c1-11-3-5-13(19)10-15(11)20-18(22)12-4-8-16(25-2)17(9-12)26(23,24)21-14-6-7-14/h3-5,8-10,14,21H,6-7,19H2,1-2H3,(H,20,22)
InChIKeyBJIBXFGHDLMUNK-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.28
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (PubChem CID 120569275) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
PubChem CID120569275
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C18H21N3O4S/c1-11-3-5-13(19)10-15(11)20-18(22)12-4-8-16(25-2)17(9-12)26(23,24)21-14-6-7-14/h3-5,8-10,14,21H,6-7,19H2,1-2H3,(H,20,22)
InChIKeyBJIBXFGHDLMUNK-UHFFFAOYSA-N
XLogP2.28
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 120568619
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 124727033
3-(cyclopropylsulfamoyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 9292477

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (CID 120569275) is N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(N)ccc2C)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The InChIKey is BJIBXFGHDLMUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-11-3-5-13(19)10-15(11)20-18(22)12-4-8-16(25-2)17(9-12)26(23,24)21-14-6-7-14/h3-5,8-10,14,21H,6-7,19H2,1-2H3,(H,20,22).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide has a molecular weight of 375.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 120569275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).