2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide

C18H20ClNO2S — CID 73167824

IUPAC2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccccc1Cl)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C18H20ClNO2S/c19-17-6-2-1-5-16(17)18(21)20(14-8-11-22-12-9-14)10-7-15-4-3-13-23-15/h1-6,13-14H,7-12H2
InChIKeyCEIMOTPZXIOXJM-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide

2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 73167824) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID73167824
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccccc1Cl)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C18H20ClNO2S/c19-17-6-2-1-5-16(17)18(21)20(14-8-11-22-12-9-14)10-7-15-4-3-13-23-15/h1-6,13-14H,7-12H2
InChIKeyCEIMOTPZXIOXJM-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4879880
[9-[(4-Chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone
CID 52946249
3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
CID 25163856
N-(4-chlorophenethyl)-N-(tetrahydro-2H-pyran-4-yl)benzo[b]thiophene-3-carboxamide
CID 44589706
Ethyl 3-(2-chlorophenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 5036937
[5-(2-Chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone
CID 6096212
4-chloro-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]benzamide
CID 17014733
N-benzyl-1-[(5-chloro-2-thienyl)carbonyl]-N-methyl-3-piperidinamine
CID 24794192
2-chloro-N-[4-methylsulfanyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 24818031
[5-(4-Chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 2823748
(2-Chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)methanone
CID 13936751
4-Oxo ticlopidine
CID 20346859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide (CID 73167824) is 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide is O=C(c1ccccc1Cl)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is CEIMOTPZXIOXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c19-17-6-2-1-5-16(17)18(21)20(14-8-11-22-12-9-14)10-7-15-4-3-13-23-15/h1-6,13-14H,7-12H2.
What are the key properties of 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide?
2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 349.88 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 73167824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).