3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide

C14H14ClNO2S — CID 124854885

IUPAC3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@@H](CO)c1ccsc1
InChIInChI=1S/C14H14ClNO2S/c1-9-11(3-2-4-12(9)15)14(18)16-13(7-17)10-5-6-19-8-10/h2-6,8,13,17H,7H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyYBEVGOSUXBGNNX-ZDUSSCGKSA-N
MW295.79 g/mol
LogP3.17
Rot. Bonds4

About 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide

3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide (PubChem CID 124854885) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide
PubChem CID124854885
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@@H](CO)c1ccsc1
InChIInChI=1S/C14H14ClNO2S/c1-9-11(3-2-4-12(9)15)14(18)16-13(7-17)10-5-6-19-8-10/h2-6,8,13,17H,7H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyYBEVGOSUXBGNNX-ZDUSSCGKSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 164635754
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide
CID 119034175
methyl 3-[(3-chloro-2-methylbenzoyl)amino]-3-pyridin-4-ylpropanoate
CID 119050142
2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107096030
[(3-chloro-2-methylbenzoyl)amino]urea
CID 107100350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide (CID 124854885) is 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)N[C@@H](CO)c1ccsc1.
What is the InChIKey of 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide?
The InChIKey is YBEVGOSUXBGNNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-9-11(3-2-4-12(9)15)14(18)16-13(7-17)10-5-6-19-8-10/h2-6,8,13,17H,7H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide?
3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide has a molecular weight of 295.79 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide is sourced from PubChem (CID 124854885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).