N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

C23H25N3O6S2 — CID 2434074

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H25N3O6S2/c1-17-3-11-21(12-4-17)33(28,29)24-16-15-23(27)25-18-7-13-22(14-8-18)34(30,31)26-19-5-9-20(32-2)10-6-19/h3-14,24,26H,15-16H2,1-2H3,(H,25,27)
InChIKeyQVUOMTCXKNUSCN-UHFFFAOYSA-N
MW503.60 g/mol
LogP3.11
Rot. Bonds10

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 2434074) has the molecular formula C23H25N3O6S2 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID2434074
Molecular FormulaC23H25N3O6S2
Molecular Weight503.60 g/mol
Exact Mass503.12
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H25N3O6S2/c1-17-3-11-21(12-4-17)33(28,29)24-16-15-23(27)25-18-7-13-22(14-8-18)34(30,31)26-19-5-9-20(32-2)10-6-19/h3-14,24,26H,15-16H2,1-2H3,(H,25,27)
InChIKeyQVUOMTCXKNUSCN-UHFFFAOYSA-N
XLogP3.11
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
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CID 2869088
4-[2-[[1-(4-Hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 2434074) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is QVUOMTCXKNUSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S2/c1-17-3-11-21(12-4-17)33(28,29)24-16-15-23(27)25-18-7-13-22(14-8-18)34(30,31)26-19-5-9-20(32-2)10-6-19/h3-14,24,26H,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 503.60 g/mol, XLogP of 3.11, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2434074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).