2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide

C12H16ClNO2S — CID 2273690

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c1-16-8-2-7-14-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyKNNCOGLDKPJCHD-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.58
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide (PubChem CID 2273690) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
PubChem CID2273690
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c1-16-8-2-7-14-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyKNNCOGLDKPJCHD-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
2-(4-chlorophenyl)sulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700002
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999188
2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide
CID 7816400
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 112780132
4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 34998826
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide (CID 2273690) is 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide?
The InChIKey is KNNCOGLDKPJCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-16-8-2-7-14-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide has a molecular weight of 273.78 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2273690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).