2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide

C19H23BrN2O3S — CID 17168931

IUPAC2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1C(N)=O
InChIInChI=1S/C19H23BrN2O3S/c1-5-13-11(4)26-19(16(13)17(21)23)22-18(24)12-6-7-15(14(20)8-12)25-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeyHDJQCWLPDBGNTD-UHFFFAOYSA-N
MW439.38 g/mol
LogP4.77
Rot. Bonds7

About 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 17168931) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID17168931
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1C(N)=O
InChIInChI=1S/C19H23BrN2O3S/c1-5-13-11(4)26-19(16(13)17(21)23)22-18(24)12-6-7-15(14(20)8-12)25-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeyHDJQCWLPDBGNTD-UHFFFAOYSA-N
XLogP4.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168960
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
ethyl 4-ethyl-5-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4220295
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
4-ethyl-2-[[4-(2-methoxyethoxy)benzoyl]amino]-5-methylthiophene-3-carboxamide
CID 17168933
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168938
2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168930
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673535
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168908
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 17168931) is 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1C(N)=O.
What is the InChIKey of 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is HDJQCWLPDBGNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-5-13-11(4)26-19(16(13)17(21)23)22-18(24)12-6-7-15(14(20)8-12)25-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H2,21,23)(H,22,24).
What are the key properties of 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 439.38 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 17168931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).