N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide

C17H16F2N2O2S — CID 27772603

IUPACN-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
SMILESCc1ccc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2S/c1-11-2-5-13(6-3-11)24-10-17(23)20-9-16(22)21-12-4-7-14(18)15(19)8-12/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyTUGYQSBQAYTCRL-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.12
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide (PubChem CID 27772603) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
PubChem CID27772603
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
SMILESCc1ccc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2S/c1-11-2-5-13(6-3-11)24-10-17(23)20-9-16(22)21-12-4-7-14(18)15(19)8-12/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyTUGYQSBQAYTCRL-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]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

N-(3,4-difluorophenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 26560428
N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 9212079
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9055689
ethyl 2-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]sulfanylacetate
CID 9286921
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
2-[[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 34397807

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide (CID 27772603) is N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide is Cc1ccc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide?
The InChIKey is TUGYQSBQAYTCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c1-11-2-5-13(6-3-11)24-10-17(23)20-9-16(22)21-12-4-7-14(18)15(19)8-12/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide has a molecular weight of 350.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 27772603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).