4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide

C12H12BrNO2S2 — CID 97427365

IUPAC4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
SMILESCO[C@H](CNC(=O)c1cc(Br)cs1)c1ccsc1
InChIInChI=1S/C12H12BrNO2S2/c1-16-10(8-2-3-17-6-8)5-14-12(15)11-4-9(13)7-18-11/h2-4,6-7,10H,5H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyYKEQQHIWWJIYGH-SNVBAGLBSA-N
MW346.27 g/mol
LogP3.69
Rot. Bonds5

About 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide

4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide (PubChem CID 97427365) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
PubChem CID97427365
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Name4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
SMILESCO[C@H](CNC(=O)c1cc(Br)cs1)c1ccsc1
InChIInChI=1S/C12H12BrNO2S2/c1-16-10(8-2-3-17-6-8)5-14-12(15)11-4-9(13)7-18-11/h2-4,6-7,10H,5H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyYKEQQHIWWJIYGH-SNVBAGLBSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583971
4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99876156
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
N-(2-methoxy-2-thiophen-3-ylethyl)pentanamide
CID 90583823
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide (CID 97427365) is 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide is CO[C@H](CNC(=O)c1cc(Br)cs1)c1ccsc1.
What is the InChIKey of 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The InChIKey is YKEQQHIWWJIYGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-16-10(8-2-3-17-6-8)5-14-12(15)11-4-9(13)7-18-11/h2-4,6-7,10H,5H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide has a molecular weight of 346.27 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 97427365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).