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

C18H21BrN2O3S — CID 17168930

IUPAC2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1sc(C)c(CC)c1C(N)=O
InChIInChI=1S/C18H21BrN2O3S/c1-4-8-24-14-7-6-11(19)9-13(14)17(23)21-18-15(16(20)22)12(5-2)10(3)25-18/h6-7,9H,4-5,8H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyJHAUOUCLAAAHOJ-UHFFFAOYSA-N
MW425.35 g/mol
LogP4.52
Rot. Bonds7

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

2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 17168930) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID17168930
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1sc(C)c(CC)c1C(N)=O
InChIInChI=1S/C18H21BrN2O3S/c1-4-8-24-14-7-6-11(19)9-13(14)17(23)21-18-15(16(20)22)12(5-2)10(3)25-18/h6-7,9H,4-5,8H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyJHAUOUCLAAAHOJ-UHFFFAOYSA-N
XLogP4.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168938
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
CID 17168903
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168945
2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168931
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 17351395
ethyl 2-[(5-bromo-2-hexoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 17343368
4-ethyl-2-[[4-(2-methoxyethoxy)benzoyl]amino]-5-methylthiophene-3-carboxamide
CID 17168933
5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 1222183
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 17168930) is 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCCOc1ccc(Br)cc1C(=O)Nc1sc(C)c(CC)c1C(N)=O.
What is the InChIKey of 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is JHAUOUCLAAAHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-4-8-24-14-7-6-11(19)9-13(14)17(23)21-18-15(16(20)22)12(5-2)10(3)25-18/h6-7,9H,4-5,8H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 425.35 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 17168930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).