N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide

C16H18N2OS2 — CID 51095235

IUPACN-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(CSCc1ccccn1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H18N2OS2/c19-16(12-21-11-14-3-1-2-7-17-14)18(15-4-5-15)9-13-6-8-20-10-13/h1-3,6-8,10,15H,4-5,9,11-12H2
InChIKeySCDOBJKZUUFTAF-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.57
Rot. Bonds7

About N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide

N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 51095235) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID51095235
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC NameN-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(CSCc1ccccn1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H18N2OS2/c19-16(12-21-11-14-3-1-2-7-17-14)18(15-4-5-15)9-13-6-8-20-10-13/h1-3,6-8,10,15H,4-5,9,11-12H2
InChIKeySCDOBJKZUUFTAF-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119442281
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N-cyclopropyl-2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47500513
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-pyridin-2-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129466575
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 62799810
3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 107272972
N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 47502733
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52992580

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide (CID 51095235) is N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide is O=C(CSCc1ccccn1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is SCDOBJKZUUFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c19-16(12-21-11-14-3-1-2-7-17-14)18(15-4-5-15)9-13-6-8-20-10-13/h1-3,6-8,10,15H,4-5,9,11-12H2.
What are the key properties of N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide?
N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 318.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 51095235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).