N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

C28H34N2O6S2 — CID 43898957

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(CC)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C28H34N2O6S2/c1-6-23(20-12-17-26(34-3)27(18-20)35-4)29-28(31)19-30(24-10-8-9-11-25(24)36-7-2)38(32,33)22-15-13-21(37-5)14-16-22/h8-18,23H,6-7,19H2,1-5H3,(H,29,31)
InChIKeyHADOWUGLQYDHFY-UHFFFAOYSA-N
MW558.72 g/mol
LogP5.29
Rot. Bonds13

About N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (PubChem CID 43898957) has the molecular formula C28H34N2O6S2 and a molecular weight of 558.72 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
PubChem CID43898957
Molecular FormulaC28H34N2O6S2
Molecular Weight558.72 g/mol
Exact Mass558.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(CC)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C28H34N2O6S2/c1-6-23(20-12-17-26(34-3)27(18-20)35-4)29-28(31)19-30(24-10-8-9-11-25(24)36-7-2)38(32,33)22-15-13-21(37-5)14-16-22/h8-18,23H,6-7,19H2,1-5H3,(H,29,31)
InChIKeyHADOWUGLQYDHFY-UHFFFAOYSA-N
XLogP5.29
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide 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

2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94864369
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43892812
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2232163
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232080
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methylphenyl)propyl]acetamide
CID 43901964
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94864725
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43898908
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280258
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 53280106
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100768470
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46769210
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 43901729

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (CID 43898957) is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)NC(CC)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The InChIKey is HADOWUGLQYDHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6S2/c1-6-23(20-12-17-26(34-3)27(18-20)35-4)29-28(31)19-30(24-10-8-9-11-25(24)36-7-2)38(32,33)22-15-13-21(37-5)14-16-22/h8-18,23H,6-7,19H2,1-5H3,(H,29,31).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide has a molecular weight of 558.72 g/mol, XLogP of 5.29, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43898957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).