N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide

C18H21N3O4S — CID 119419615

IUPACN-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1N
InChIInChI=1S/C18H21N3O4S/c1-11-3-7-14(26(23,24)21-12-4-5-12)10-15(11)18(22)20-13-6-8-17(25-2)16(19)9-13/h3,6-10,12,21H,4-5,19H2,1-2H3,(H,20,22)
InChIKeyPUXGVBQGEGVVCW-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.28
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide

N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide (PubChem CID 119419615) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
PubChem CID119419615
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1N
InChIInChI=1S/C18H21N3O4S/c1-11-3-7-14(26(23,24)21-12-4-5-12)10-15(11)18(22)20-13-6-8-17(25-2)16(19)9-13/h3,6-10,12,21H,4-5,19H2,1-2H3,(H,20,22)
InChIKeyPUXGVBQGEGVVCW-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'}

Analyze N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55993465
5-(cyclopropylsulfamoyl)-N-(9H-fluoren-2-yl)-2-methylbenzamide
CID 34074950
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate
CID 24585775
5-(cyclopentylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 4643786
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26716297
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide (CID 119419615) is N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The InChIKey is PUXGVBQGEGVVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-11-3-7-14(26(23,24)21-12-4-5-12)10-15(11)18(22)20-13-6-8-17(25-2)16(19)9-13/h3,6-10,12,21H,4-5,19H2,1-2H3,(H,20,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide 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-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 119419615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).