N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C18H22N2O3S2 — CID 988364

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-4-5-8-15(14)12-24-13-18(21)19-16-9-6-10-17(11-16)20(2)25(3,22)23/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyGGBYCFLGPKPLHQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.26
Rot. Bonds7

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 988364) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID988364
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S2/c1-14-7-4-5-8-15(14)12-24-13-18(21)19-16-9-6-10-17(11-16)20(2)25(3,22)23/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyGGBYCFLGPKPLHQ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2111546
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100537477
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide
CID 41465695
(2S)-2-benzylsulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 126135835
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126122522
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
CID 2942864
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 988364) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is GGBYCFLGPKPLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-7-4-5-8-15(14)12-24-13-18(21)19-16-9-6-10-17(11-16)20(2)25(3,22)23/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.26, 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]-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 988364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).