N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

C14H14ClNOS2 — CID 8569586

IUPACN-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CSCc1cccs1
InChIInChI=1S/C14H14ClNOS2/c1-10-7-11(15)4-5-13(10)16-14(17)9-18-8-12-3-2-6-19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyZOHWECDXQGDGQT-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.58
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 8569586) has the molecular formula C14H14ClNOS2 and a molecular weight of 311.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID8569586
Molecular FormulaC14H14ClNOS2
Molecular Weight311.86 g/mol
Exact Mass311.02
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CSCc1cccs1
InChIInChI=1S/C14H14ClNOS2/c1-10-7-11(15)4-5-13(10)16-14(17)9-18-8-12-3-2-6-19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyZOHWECDXQGDGQT-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8639932
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574853
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8945638
2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 47026318
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
5-fluoro-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid
CID 43359635
N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 112691386
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1193965
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3378077
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 8569586) is N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CSCc1cccs1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is ZOHWECDXQGDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS2/c1-10-7-11(15)4-5-13(10)16-14(17)9-18-8-12-3-2-6-19-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 311.86 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 8569586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).