2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide

C17H17Cl2NOS — CID 7870586

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NOS/c1-11(2)13-5-3-4-6-15(13)20-17(21)10-22-16-9-12(18)7-8-14(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyMZGXFQUDECBRDN-UHFFFAOYSA-N
MW354.30 g/mol
LogP5.85
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 7870586) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
PubChem CID7870586
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NOS/c1-11(2)13-5-3-4-6-15(13)20-17(21)10-22-16-9-12(18)7-8-14(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyMZGXFQUDECBRDN-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.30
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
2-(2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 26507373
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 40568627
2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 21378459
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 889834
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238821
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide (CID 7870586) is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is MZGXFQUDECBRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NOS/c1-11(2)13-5-3-4-6-15(13)20-17(21)10-22-16-9-12(18)7-8-14(16)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 354.30 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7870586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).