N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide

C24H26N2O4S — CID 18282158

IUPACN-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1ccsc1
InChIInChI=1S/C24H26N2O4S/c1-3-29-21-15-20(26-24(28)18-8-6-5-7-9-18)22(30-4-2)14-19(21)25-23(27)11-10-17-12-13-31-16-17/h5-9,12-16H,3-4,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMCVHNRUGBIZGRN-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.37
Rot. Bonds10

About N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide

N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide (PubChem CID 18282158) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
PubChem CID18282158
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1ccsc1
InChIInChI=1S/C24H26N2O4S/c1-3-29-21-15-20(26-24(28)18-8-6-5-7-9-18)22(30-4-2)14-19(21)25-23(27)11-10-17-12-13-31-16-17/h5-9,12-16H,3-4,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMCVHNRUGBIZGRN-UHFFFAOYSA-N
XLogP5.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide
CID 84561426
N-(2-ethoxyphenyl)-4-(3-phenylpropanoylamino)benzamide
CID 1237348
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide (CID 18282158) is N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1ccsc1.
What is the InChIKey of N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide?
The InChIKey is MCVHNRUGBIZGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-29-21-15-20(26-24(28)18-8-6-5-7-9-18)22(30-4-2)14-19(21)25-23(27)11-10-17-12-13-31-16-17/h5-9,12-16H,3-4,10-11H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide?
N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 18282158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).