5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide

C13H11Br2NOS — CID 114311057

IUPAC5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(CBr)c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C13H11Br2NOS/c14-8-10(9-4-2-1-3-5-9)16-13(17)11-6-7-12(15)18-11/h1-7,10H,8H2,(H,16,17)
InChIKeyKXEDMJFUSUTJOA-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.38
Rot. Bonds4

About 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide

5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide (PubChem CID 114311057) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
PubChem CID114311057
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(CBr)c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C13H11Br2NOS/c14-8-10(9-4-2-1-3-5-9)16-13(17)11-6-7-12(15)18-11/h1-7,10H,8H2,(H,16,17)
InChIKeyKXEDMJFUSUTJOA-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide
CID 63523885
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide
CID 10064609
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983214
5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55834440

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide (CID 114311057) is 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide is O=C(NC(CBr)c1ccccc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is KXEDMJFUSUTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c14-8-10(9-4-2-1-3-5-9)16-13(17)11-6-7-12(15)18-11/h1-7,10H,8H2,(H,16,17).
What are the key properties of 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide?
5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 389.11 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 114311057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).