N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide

C23H20N2O2S — CID 91624467

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C23H20N2O2S/c26-22(17-3-1-15(2-4-17)19-10-12-28-14-19)24-20-8-7-16-9-11-25(21(16)13-20)23(27)18-5-6-18/h1-4,7-8,10,12-14,18H,5-6,9,11H2,(H,24,26)
InChIKeyNZGYQELMTJHSHO-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.97
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide (PubChem CID 91624467) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide
PubChem CID91624467
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C23H20N2O2S/c26-22(17-3-1-15(2-4-17)19-10-12-28-14-19)24-20-8-7-16-9-11-25(21(16)13-20)23(27)18-5-6-18/h1-4,7-8,10,12-14,18H,5-6,9,11H2,(H,24,26)
InChIKeyNZGYQELMTJHSHO-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
N-(4-tert-butylphenyl)-4-thiophen-3-ylbenzamide
CID 142682988
3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080913
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110303950
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623518
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 53080907
5-bromo-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]furan-2-carboxamide
CID 7586241
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 24803231
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
CID 110623537
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea
CID 110303954
N-[1-(cyclopentanecarbonyl)-2,3-dihydroindol-6-yl]-1-methyltriazole-4-carboxamide
CID 71806589

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide (CID 91624467) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide is O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide?
The InChIKey is NZGYQELMTJHSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-22(17-3-1-15(2-4-17)19-10-12-28-14-19)24-20-8-7-16-9-11-25(21(16)13-20)23(27)18-5-6-18/h1-4,7-8,10,12-14,18H,5-6,9,11H2,(H,24,26).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 91624467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).