2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide

C16H13BrN2OS — CID 60706018

IUPAC2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide
SMILESO=C(CNc1ccc2sccc2c1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2OS/c17-12-1-3-13(4-2-12)19-16(20)10-18-14-5-6-15-11(9-14)7-8-21-15/h1-9,18H,10H2,(H,19,20)
InChIKeyRNSXGOFNHYEGEC-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.71
Rot. Bonds4

About 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide

2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide (PubChem CID 60706018) has the molecular formula C16H13BrN2OS and a molecular weight of 361.26 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide
PubChem CID60706018
Molecular FormulaC16H13BrN2OS
Molecular Weight361.26 g/mol
Exact Mass359.99
IUPAC Name2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide
SMILESO=C(CNc1ccc2sccc2c1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2OS/c17-12-1-3-13(4-2-12)19-16(20)10-18-14-5-6-15-11(9-14)7-8-21-15/h1-9,18H,10H2,(H,19,20)
InChIKeyRNSXGOFNHYEGEC-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide
CID 60751182
2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
CID 61062685
2-(3-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 115650334
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
N-(3-methylbut-2-enyl)-1-benzothiophen-5-amine
CID 107900022
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide (CID 60706018) is 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide is O=C(CNc1ccc2sccc2c1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide?
The InChIKey is RNSXGOFNHYEGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2OS/c17-12-1-3-13(4-2-12)19-16(20)10-18-14-5-6-15-11(9-14)7-8-21-15/h1-9,18H,10H2,(H,19,20).
What are the key properties of 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide?
2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide has a molecular weight of 361.26 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 60706018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).