N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide

C18H22N2O3S2 — CID 1306784

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-9-17(10-8-14)24-12-11-18(21)19-15-5-4-6-16(13-15)20(2)25(3,22)23/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyJPLHHRJNUQZICH-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.51
Rot. Bonds7

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 1306784) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID1306784
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-9-17(10-8-14)24-12-11-18(21)19-15-5-4-6-16(13-15)20(2)25(3,22)23/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyJPLHHRJNUQZICH-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 1306784) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is JPLHHRJNUQZICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-7-9-17(10-8-14)24-12-11-18(21)19-15-5-4-6-16(13-15)20(2)25(3,22)23/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 1306784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).