3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

C13H12ClNO2S — CID 141145970

IUPAC3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESC[C@@H](Oc1ccsc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-8(9-4-2-3-5-10(9)14)17-11-6-7-18-12(11)13(15)16/h2-8H,1H3,(H2,15,16)/t8-/m1/s1
InChIKeyZTBCXHOUHPBWQO-MRVPVSSYSA-N
MW281.76 g/mol
LogP3.64
Rot. Bonds4

About 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (PubChem CID 141145970) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
PubChem CID141145970
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESC[C@@H](Oc1ccsc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-8(9-4-2-3-5-10(9)14)17-11-6-7-18-12(11)13(15)16/h2-8H,1H3,(H2,15,16)/t8-/m1/s1
InChIKeyZTBCXHOUHPBWQO-MRVPVSSYSA-N
XLogP3.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 23624302
3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 67438496
5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid
CID 69371408
5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 67437966
3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 67431627
3-[1-(2-chlorophenyl)ethoxy]-5-(5-ethylidene-1,4-dihydropyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
CID 90994618
methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
CID 67008865
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(3-oxopropyl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 59821102
3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 87401002
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(2,3-dihydroxypropyl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 59821120
methyl 3-[1-(2-chlorophenyl)ethoxy]-5-(2-cyanoacetyl)thiophene-2-carboxylate
CID 66730324

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (CID 141145970) is 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is C[C@@H](Oc1ccsc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The InChIKey is ZTBCXHOUHPBWQO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-8(9-4-2-3-5-10(9)14)17-11-6-7-18-12(11)13(15)16/h2-8H,1H3,(H2,15,16)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 281.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 141145970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).