2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide

C18H18ClNO2S2 — CID 75526467

IUPAC2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSCC(=O)N(Cc1cccs1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO2S2/c19-14-5-3-13(4-6-14)17(21)11-23-12-18(22)20(15-7-8-15)10-16-2-1-9-24-16/h1-6,9,15H,7-8,10-12H2
InChIKeyUNWMLLXPWVAEDJ-UHFFFAOYSA-N
MW379.93 g/mol
LogP4.51
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 75526467) has the molecular formula C18H18ClNO2S2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID75526467
Molecular FormulaC18H18ClNO2S2
Molecular Weight379.93 g/mol
Exact Mass379.05
IUPAC Name2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSCC(=O)N(Cc1cccs1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO2S2/c19-14-5-3-13(4-6-14)17(21)11-23-12-18(22)20(15-7-8-15)10-16-2-1-9-24-16/h1-6,9,15H,7-8,10-12H2
InChIKeyUNWMLLXPWVAEDJ-UHFFFAOYSA-N
XLogP4.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide (CID 75526467) is 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSCC(=O)N(Cc1cccs1)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UNWMLLXPWVAEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S2/c19-14-5-3-13(4-6-14)17(21)11-23-12-18(22)20(15-7-8-15)10-16-2-1-9-24-16/h1-6,9,15H,7-8,10-12H2.
What are the key properties of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 379.93 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 75526467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).