2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide

C15H17BrN2OS — CID 134146546

IUPAC2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(Br)cc2)sc1N
InChIInChI=1S/C15H17BrN2OS/c1-2-3-8-18-15(19)12-9-13(20-14(12)17)10-4-6-11(16)7-5-10/h4-7,9H,2-3,8,17H2,1H3,(H,18,19)
InChIKeyUYWXWVKTMQTIOY-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.29
Rot. Bonds5

About 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide

2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide (PubChem CID 134146546) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide
PubChem CID134146546
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(Br)cc2)sc1N
InChIInChI=1S/C15H17BrN2OS/c1-2-3-8-18-15(19)12-9-13(20-14(12)17)10-4-6-11(16)7-5-10/h4-7,9H,2-3,8,17H2,1H3,(H,18,19)
InChIKeyUYWXWVKTMQTIOY-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide
CID 134146525
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate
CID 3667213
4-bromo-N-pentylbenzamide
CID 4167913
4-bromo-N-[2-(butylcarbamoylamino)ethyl]benzamide
CID 47322695
4-bromo-N-hexadecylbenzamide
CID 54791037
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
CID 17350650

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide (CID 134146546) is 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide is CCCCNC(=O)c1cc(-c2ccc(Br)cc2)sc1N.
What is the InChIKey of 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide?
The InChIKey is UYWXWVKTMQTIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-2-3-8-18-15(19)12-9-13(20-14(12)17)10-4-6-11(16)7-5-10/h4-7,9H,2-3,8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide?
2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide has a molecular weight of 353.29 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide is sourced from PubChem (CID 134146546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).