N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide

C17H20N2O4S — CID 889176

IUPACN-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-4-17(20)18-15-9-8-14(11-16(15)23-3)24(21,22)19-13-7-5-6-12(2)10-13/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyPLRMEHBJJUQCHW-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.15
Rot. Bonds6

About N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide

N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 889176) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID889176
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-4-17(20)18-15-9-8-14(11-16(15)23-3)24(21,22)19-13-7-5-6-12(2)10-13/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyPLRMEHBJJUQCHW-UHFFFAOYSA-N
XLogP3.15
TPSA84.50 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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 668310
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CID 2083341
(2E)-2-cyano-3-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070922
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
N-(2-fluoro-4-sulfamoylphenyl)-2-(4-methoxyphenyl)acetamide
CID 71764402
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide
CID 4800134
N-(4-((2-(4-Methoxybenzylidene)hydrazino)sulfonyl)phenyl)acetamide
CID 6473971
N-[2-methoxy-4-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]phenyl]acetamide;hydrochloride
CID 16247590
N-((2-ethoxyphenyl)carbamoyl)-4-methylbenzenesulfonamide
CID 753422

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide (CID 889176) is N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is PLRMEHBJJUQCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-17(20)18-15-9-8-14(11-16(15)23-3)24(21,22)19-13-7-5-6-12(2)10-13/h5-11,19H,4H2,1-3H3,(H,18,20).
What are the key properties of N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide?
N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 889176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).