4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C25H28N2O4S2 — CID 94013014

IUPAC4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCCN(c1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C25H28N2O4S2/c1-5-27(33(29,30)24-16-14-23(32-4)15-17-24)21-10-6-20(7-11-21)25(28)26-18(2)19-8-12-22(31-3)13-9-19/h6-18H,5H2,1-4H3,(H,26,28)/t18-/m0/s1
InChIKeyOZIYEBXGQWSQJR-SFHVURJKSA-N
MW484.64 g/mol
LogP5.12
Rot. Bonds9

About 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 94013014) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID94013014
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCCN(c1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C25H28N2O4S2/c1-5-27(33(29,30)24-16-14-23(32-4)15-17-24)21-10-6-20(7-11-21)25(28)26-18(2)19-8-12-22(31-3)13-9-19/h6-18H,5H2,1-4H3,(H,26,28)/t18-/m0/s1
InChIKeyOZIYEBXGQWSQJR-SFHVURJKSA-N
XLogP5.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 99957303
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 28631973
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94864605
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-propan-2-yloxyphenyl)benzamide
CID 28591644
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92683234
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43875390
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 53279777
N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591623

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 94013014) is 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is OZIYEBXGQWSQJR-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-5-27(33(29,30)24-16-14-23(32-4)15-17-24)21-10-6-20(7-11-21)25(28)26-18(2)19-8-12-22(31-3)13-9-19/h6-18H,5H2,1-4H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 484.64 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 94013014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).