5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide

C14H13BrN2O3S — CID 39862378

IUPAC5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O3S/c1-20-7-13(18)16-10-3-2-4-11(6-10)17-14(19)9-5-12(15)21-8-9/h2-6,8H,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyRMCIETUPRQQIGI-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.35
Rot. Bonds5

About 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide

5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide (PubChem CID 39862378) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
PubChem CID39862378
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O3S/c1-20-7-13(18)16-10-3-2-4-11(6-10)17-14(19)9-5-12(15)21-8-9/h2-6,8H,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyRMCIETUPRQQIGI-UHFFFAOYSA-N
XLogP3.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 37436093
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689
5-bromo-N-(3-ethynylphenyl)thiophene-3-carboxamide
CID 39677708
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 43424540
4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide
CID 55823963
5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
CID 43424437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide (CID 39862378) is 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide is COCC(=O)Nc1cccc(NC(=O)c2csc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide?
The InChIKey is RMCIETUPRQQIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-20-7-13(18)16-10-3-2-4-11(6-10)17-14(19)9-5-12(15)21-8-9/h2-6,8H,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide?
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide has a molecular weight of 369.24 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 39862378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).