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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Related Compounds

N-cyclopropyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86985290
4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 55599478
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 1452394
N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 42953421
5-chloro-N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzamide
CID 62242599
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488

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).