4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide

C14H13BrClNO2S — CID 99876156

IUPAC4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
SMILESCO[C@H](CNC(=O)c1cc(Br)cs1)c1ccccc1Cl
InChIInChI=1S/C14H13BrClNO2S/c1-19-12(10-4-2-3-5-11(10)16)7-17-14(18)13-6-9(15)8-20-13/h2-6,8,12H,7H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyFXIIMXYRIBLYLN-GFCCVEGCSA-N
MW374.69 g/mol
LogP4.28
Rot. Bonds5

About 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide

4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide (PubChem CID 99876156) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
PubChem CID99876156
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC Name4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
SMILESCO[C@H](CNC(=O)c1cc(Br)cs1)c1ccccc1Cl
InChIInChI=1S/C14H13BrClNO2S/c1-19-12(10-4-2-3-5-11(10)16)7-17-14(18)13-6-9(15)8-20-13/h2-6,8,12H,7H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyFXIIMXYRIBLYLN-GFCCVEGCSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
CID 90623686
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
5-bromo-2-chloro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90598056
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99601536
3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 99876162
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide (CID 99876156) is 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide is CO[C@H](CNC(=O)c1cc(Br)cs1)c1ccccc1Cl.
What is the InChIKey of 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide?
The InChIKey is FXIIMXYRIBLYLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-19-12(10-4-2-3-5-11(10)16)7-17-14(18)13-6-9(15)8-20-13/h2-6,8,12H,7H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide?
4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide has a molecular weight of 374.69 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide is sourced from PubChem (CID 99876156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).