N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide

C15H17NO2S2 — CID 56793867

IUPACN-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NC(c1cccs1)c1cccs1
InChIInChI=1S/C15H17NO2S2/c17-14(10-11-4-1-7-18-11)16-15(12-5-2-8-19-12)13-6-3-9-20-13/h2-3,5-6,8-9,11,15H,1,4,7,10H2,(H,16,17)
InChIKeyPHGSMBRHOUBATK-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.58
Rot. Bonds5

About N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide

N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide (PubChem CID 56793867) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
PubChem CID56793867
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NC(c1cccs1)c1cccs1
InChIInChI=1S/C15H17NO2S2/c17-14(10-11-4-1-7-18-11)16-15(12-5-2-8-19-12)13-6-3-9-20-13/h2-3,5-6,8-9,11,15H,1,4,7,10H2,(H,16,17)
InChIKeyPHGSMBRHOUBATK-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124699769
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94663590
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66429537
3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide (CID 56793867) is N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NC(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is PHGSMBRHOUBATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-14(10-11-4-1-7-18-11)16-15(12-5-2-8-19-12)13-6-3-9-20-13/h2-3,5-6,8-9,11,15H,1,4,7,10H2,(H,16,17).
What are the key properties of N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide?
N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 56793867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).