N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide

C17H20N2O4S — CID 87002439

IUPACN-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C17H20N2O4S/c1-3-9-23-15-6-4-5-13(10-15)17(20)19-14-8-7-12(2)16(11-14)24(18,21)22/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyGRNBQLNOOXIITI-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.68
Rot. Bonds6

About N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide

N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide (PubChem CID 87002439) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
PubChem CID87002439
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C17H20N2O4S/c1-3-9-23-15-6-4-5-13(10-15)17(20)19-14-8-7-12(2)16(11-14)24(18,21)22/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyGRNBQLNOOXIITI-UHFFFAOYSA-N
XLogP2.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
CID 119465892
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 4954916
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide (CID 87002439) is N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide?
The InChIKey is GRNBQLNOOXIITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-9-23-15-6-4-5-13(10-15)17(20)19-14-8-7-12(2)16(11-14)24(18,21)22/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide?
N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide has a molecular weight of 348.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide is sourced from PubChem (CID 87002439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).