2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide

C18H19Cl2NOS2 — CID 123451427

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide
SMILESCC(C)(Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NOS2/c1-18(2,24-16-9-5-14(20)6-10-16)17(22)21-11-12-23-15-7-3-13(19)4-8-15/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyVPOSIWUTDZFWHG-UHFFFAOYSA-N
MW400.40 g/mol
LogP5.77
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide

2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide (PubChem CID 123451427) has the molecular formula C18H19Cl2NOS2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide
PubChem CID123451427
Molecular FormulaC18H19Cl2NOS2
Molecular Weight400.40 g/mol
Exact Mass399.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide
SMILESCC(C)(Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NOS2/c1-18(2,24-16-9-5-14(20)6-10-16)17(22)21-11-12-23-15-7-3-13(19)4-8-15/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyVPOSIWUTDZFWHG-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.40
LogP ≤ 55.77
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

2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52795053
(2R)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259028
(2S)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259022
3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377
N-(3-aminopropyl)-2-(4-bromophenyl)sulfanyl-2-methylpropanamide
CID 119405211
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
2-(4-chlorophenyl)sulfanyl-N-[2-[(1S,5S)-1-hydroxy-3-bicyclo[3.2.1]octanyl]ethyl]-2-methylpropanamide
CID 71182645
2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756
4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
CID 120559309
(E)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 2176452

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide (CID 123451427) is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide is CC(C)(Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide?
The InChIKey is VPOSIWUTDZFWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NOS2/c1-18(2,24-16-9-5-14(20)6-10-16)17(22)21-11-12-23-15-7-3-13(19)4-8-15/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide has a molecular weight of 400.40 g/mol, XLogP of 5.77, 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-[2-(4-chlorophenyl)sulfanylethyl]-2-methylpropanamide is sourced from PubChem (CID 123451427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).