N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

C19H24N2O3S2 — CID 3143366

IUPACN-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S2/c1-16-7-6-10-18(13-16)21(26(2,23)24)14-19(22)20-11-12-25-15-17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22)
InChIKeyUIDNAQNLKSPIDP-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.81
Rot. Bonds9

About N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 3143366) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID3143366
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S2/c1-16-7-6-10-18(13-16)21(26(2,23)24)14-19(22)20-11-12-25-15-17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22)
InChIKeyUIDNAQNLKSPIDP-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)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-(3-methyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126031898
N-(3-benzylsulfanylpropyl)-2-(N-methylsulfonylanilino)acetamide
CID 30217365
N-(2-benzylsulfanylethyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2292014
2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2292030
2-(3-methyl-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30217871
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 51342980
N-(2-benzylsulfanylethyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342885
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2289046
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217869
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30246847
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 126031649
2-[N-(benzenesulfonyl)anilino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30174110

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 3143366) is N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is UIDNAQNLKSPIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-16-7-6-10-18(13-16)21(26(2,23)24)14-19(22)20-11-12-25-15-17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 392.55 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3143366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).