3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide

C26H27Cl2NOS2 — CID 134120088

IUPAC3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide
SMILESCC(CSc1ccccc1Cl)(CSc1ccccc1Cl)C(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C26H27Cl2NOS2/c1-25(2,19-11-5-4-6-12-19)29-24(30)26(3,17-31-22-15-9-7-13-20(22)27)18-32-23-16-10-8-14-21(23)28/h4-16H,17-18H2,1-3H3,(H,29,30)
InChIKeyPQUDVCICLRAEDV-UHFFFAOYSA-N
MW504.55 g/mol
LogP7.94
Rot. Bonds9

About 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide

3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide (PubChem CID 134120088) has the molecular formula C26H27Cl2NOS2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide
PubChem CID134120088
Molecular FormulaC26H27Cl2NOS2
Molecular Weight504.55 g/mol
Exact Mass503.09
IUPAC Name3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide
SMILESCC(CSc1ccccc1Cl)(CSc1ccccc1Cl)C(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C26H27Cl2NOS2/c1-25(2,19-11-5-4-6-12-19)29-24(30)26(3,17-31-22-15-9-7-13-20(22)27)18-32-23-16-10-8-14-21(23)28/h4-16H,17-18H2,1-3H3,(H,29,30)
InChIKeyPQUDVCICLRAEDV-UHFFFAOYSA-N
XLogP7.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-iodo-N-(2-phenylpropan-2-yl)acetamide
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2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
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1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylpropan-2-yl)-1-prop-2-enylurea
CID 13325293

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide (CID 134120088) is 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide is CC(CSc1ccccc1Cl)(CSc1ccccc1Cl)C(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide?
The InChIKey is PQUDVCICLRAEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2NOS2/c1-25(2,19-11-5-4-6-12-19)29-24(30)26(3,17-31-22-15-9-7-13-20(22)27)18-32-23-16-10-8-14-21(23)28/h4-16H,17-18H2,1-3H3,(H,29,30).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide?
3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide has a molecular weight of 504.55 g/mol, XLogP of 7.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 134120088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).