2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C16H17BrN2O3S — CID 3482744

IUPAC2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C16H17BrN2O3S/c1-8-6-11(17)4-5-12(8)22-7-13(20)19-16-14(15(18)21)9(2)10(3)23-16/h4-6H,7H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyTVBZGNCPKLHWQI-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.55
Rot. Bonds5

About 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 3482744) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID3482744
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C16H17BrN2O3S/c1-8-6-11(17)4-5-12(8)22-7-13(20)19-16-14(15(18)21)9(2)10(3)23-16/h4-6H,7H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyTVBZGNCPKLHWQI-UHFFFAOYSA-N
XLogP3.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-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

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 969209
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56501423
2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4960663
ethyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1271174
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168945
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
ethyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 978741
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
methyl 4-(4-bromophenyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 19199901
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 3482744) is 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1cc(Br)ccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is TVBZGNCPKLHWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-8-6-11(17)4-5-12(8)22-7-13(20)19-16-14(15(18)21)9(2)10(3)23-16/h4-6H,7H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 397.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 3482744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).