N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide

C20H26N2O6S — CID 1428128

IUPACN-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide
SMILESCCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(=O)CC
InChIInChI=1S/C20H26N2O6S/c1-5-20(23)21-16-12-19(28-7-3)17(13-18(16)27-6-2)22-29(24,25)15-10-8-14(26-4)9-11-15/h8-13,22H,5-7H2,1-4H3,(H,21,23)
InChIKeyACJBISFLGHNFOX-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.64
Rot. Bonds10

About N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide

N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide (PubChem CID 1428128) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide
PubChem CID1428128
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide
SMILESCCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(=O)CC
InChIInChI=1S/C20H26N2O6S/c1-5-20(23)21-16-12-19(28-7-3)17(13-18(16)27-6-2)22-29(24,25)15-10-8-14(26-4)9-11-15/h8-13,22H,5-7H2,1-4H3,(H,21,23)
InChIKeyACJBISFLGHNFOX-UHFFFAOYSA-N
XLogP3.64
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide (CID 1428128) is N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide is CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(=O)CC.
What is the InChIKey of N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is ACJBISFLGHNFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-5-20(23)21-16-12-19(28-7-3)17(13-18(16)27-6-2)22-29(24,25)15-10-8-14(26-4)9-11-15/h8-13,22H,5-7H2,1-4H3,(H,21,23).
What are the key properties of N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide?
N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 422.50 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(4-methoxyphenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 1428128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).