N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide

C19H25N3O4S — CID 26142268

IUPACN-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(NCC(C)C)cc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H25N3O4S/c1-13(2)12-21-16-9-14(10-18(11-16)27(24,25)20-3)19(23)22-15-5-7-17(26-4)8-6-15/h5-11,13,20-21H,12H2,1-4H3,(H,22,23)
InChIKeyABTDRGUCPAWNPH-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.92
Rot. Bonds8

About N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide

N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide (PubChem CID 26142268) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide
PubChem CID26142268
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(NCC(C)C)cc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H25N3O4S/c1-13(2)12-21-16-9-14(10-18(11-16)27(24,25)20-3)19(23)22-15-5-7-17(26-4)8-6-15/h5-11,13,20-21H,12H2,1-4H3,(H,22,23)
InChIKeyABTDRGUCPAWNPH-UHFFFAOYSA-N
XLogP2.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
CID 26222119
3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
CID 26225966
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
CID 26583048
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
CID 17359995
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
CID 2671265
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide (CID 26142268) is N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(NCC(C)C)cc(C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide?
The InChIKey is ABTDRGUCPAWNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13(2)12-21-16-9-14(10-18(11-16)27(24,25)20-3)19(23)22-15-5-7-17(26-4)8-6-15/h5-11,13,20-21H,12H2,1-4H3,(H,22,23).
What are the key properties of N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide?
N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide has a molecular weight of 391.49 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 26142268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).