methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate

C17H16N2O4S — CID 35187739

IUPACmethyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)s1
InChIInChI=1S/C17H16N2O4S/c1-10(20)19-8-7-11-9-12(3-4-13(11)19)18-16(21)14-5-6-15(24-14)17(22)23-2/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyOVOJZIXTUCGYHJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.70
Rot. Bonds3

About methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate

methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate (PubChem CID 35187739) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
PubChem CID35187739
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Namemethyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)s1
InChIInChI=1S/C17H16N2O4S/c1-10(20)19-8-7-11-9-12(3-4-13(11)19)18-16(21)14-5-6-15(24-14)17(22)23-2/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyOVOJZIXTUCGYHJ-UHFFFAOYSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617967
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 71936135
N-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24624601
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-hydroxy-4-methylbenzamide
CID 35805071
N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
CID 17467776
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 51205594
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 39952143

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate (CID 35187739) is methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)s1.
What is the InChIKey of methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate?
The InChIKey is OVOJZIXTUCGYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-10(20)19-8-7-11-9-12(3-4-13(11)19)18-16(21)14-5-6-15(24-14)17(22)23-2/h3-6,9H,7-8H2,1-2H3,(H,18,21).
What are the key properties of methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate?
methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 35187739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).