5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide

C15H15BrN2O2S — CID 60964591

IUPAC5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10-2-4-11(5-3-10)14(19)17-6-7-18-15(20)12-8-13(16)21-9-12/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyYJXYWNKVRVIOHZ-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.98
Rot. Bonds5

About 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide

5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide (PubChem CID 60964591) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
PubChem CID60964591
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10-2-4-11(5-3-10)14(19)17-6-7-18-15(20)12-8-13(16)21-9-12/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyYJXYWNKVRVIOHZ-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
5-bromo-N-(6-chlorohexyl)thiophene-3-carboxamide
CID 107966467
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
N-[2-(5-bromothiophen-3-yl)ethyl]benzamide
CID 67335982
5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
CID 64695293

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide (CID 60964591) is 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2csc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide?
The InChIKey is YJXYWNKVRVIOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-2-4-11(5-3-10)14(19)17-6-7-18-15(20)12-8-13(16)21-9-12/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide?
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 60964591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).