N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide

C25H28N2O7S2 — CID 3484295

IUPACN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)ccc2OC)cc1
InChIInChI=1S/C25H28N2O7S2/c1-4-34-21-10-7-19(8-11-21)27-36(31,32)24-17-20(9-14-23(24)33-3)26-25(28)15-16-35(29,30)22-12-5-18(2)6-13-22/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28)
InChIKeyRWKJJOKVBQFFER-UHFFFAOYSA-N
MW532.64 g/mol
LogP4.01
Rot. Bonds11

About N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 3484295) has the molecular formula C25H28N2O7S2 and a molecular weight of 532.64 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID3484295
Molecular FormulaC25H28N2O7S2
Molecular Weight532.64 g/mol
Exact Mass532.13
IUPAC NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)ccc2OC)cc1
InChIInChI=1S/C25H28N2O7S2/c1-4-34-21-10-7-19(8-11-21)27-36(31,32)24-17-20(9-14-23(24)33-3)26-25(28)15-16-35(29,30)22-12-5-18(2)6-13-22/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28)
InChIKeyRWKJJOKVBQFFER-UHFFFAOYSA-N
XLogP4.01
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064
tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
CID 26259494
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750
N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101955
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 35745392
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
4-(2,5-dimethylphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4968937
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 55790257
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 26851497
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 3484295) is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)ccc2OC)cc1.
What is the InChIKey of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is RWKJJOKVBQFFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O7S2/c1-4-34-21-10-7-19(8-11-21)27-36(31,32)24-17-20(9-14-23(24)33-3)26-25(28)15-16-35(29,30)22-12-5-18(2)6-13-22/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28).
What are the key properties of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 532.64 g/mol, XLogP of 4.01, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 3484295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).