2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C19H20N2O3S2 — CID 90610612

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C19H20N2O3S2/c22-18(13-26-19-20-16-5-1-2-6-17(16)24-19)21(12-15-4-3-11-25-15)14-7-9-23-10-8-14/h1-6,11,14H,7-10,12-13H2
InChIKeyXUKNOWREWZWYFH-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.19
Rot. Bonds6

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 90610612) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID90610612
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C19H20N2O3S2/c22-18(13-26-19-20-16-5-1-2-6-17(16)24-19)21(12-15-4-3-11-25-15)14-7-9-23-10-8-14/h1-6,11,14H,7-10,12-13H2
InChIKeyXUKNOWREWZWYFH-UHFFFAOYSA-N
XLogP4.19
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17460219
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40755966
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 99873303
2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 91641807
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 42886301
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate
CID 31722241
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9006398
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79404054

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 90610612) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nc2ccccc2o1)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XUKNOWREWZWYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c22-18(13-26-19-20-16-5-1-2-6-17(16)24-19)21(12-15-4-3-11-25-15)14-7-9-23-10-8-14/h1-6,11,14H,7-10,12-13H2.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 90610612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).