N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide

C17H17Cl2NOS — CID 99999188

IUPACN-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCCCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NOS/c18-14-7-9-15(10-8-14)22-12-17(21)20-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,3,5,11-12H2,(H,20,21)
InChIKeyVXXIUICTQWARNC-UHFFFAOYSA-N
MW354.30 g/mol
LogP4.83
Rot. Bonds7

About N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 99999188) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID99999188
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCCCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NOS/c18-14-7-9-15(10-8-14)22-12-17(21)20-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,3,5,11-12H2,(H,20,21)
InChIKeyVXXIUICTQWARNC-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide
CID 7816400
2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide
CID 5245438
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 99999188) is N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)NCCCc1ccccc1Cl.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is VXXIUICTQWARNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NOS/c18-14-7-9-15(10-8-14)22-12-17(21)20-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,3,5,11-12H2,(H,20,21).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 354.30 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 99999188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).