1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide

C17H19ClN2O3S — CID 113210953

IUPAC1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2c[nH]c3ccc(Cl)cc23)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19ClN2O3S/c1-20(12-4-7-24(22,23)10-12)16(21)17(5-6-17)14-9-19-15-3-2-11(18)8-13(14)15/h2-3,8-9,12,19H,4-7,10H2,1H3
InChIKeyHZORSHXFNYAKQU-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.50
Rot. Bonds3

About 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide

1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide (PubChem CID 113210953) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide
PubChem CID113210953
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2c[nH]c3ccc(Cl)cc23)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19ClN2O3S/c1-20(12-4-7-24(22,23)10-12)16(21)17(5-6-17)14-9-19-15-3-2-11(18)8-13(14)15/h2-3,8-9,12,19H,4-7,10H2,1H3
InChIKeyHZORSHXFNYAKQU-UHFFFAOYSA-N
XLogP2.50
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198221
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide
CID 113198660
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide
CID 113208590
1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278306
3-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108989449
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 95661365
[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 113210923
5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
CID 139229716
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51504628
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide (CID 113210953) is 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(c2c[nH]c3ccc(Cl)cc23)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is HZORSHXFNYAKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-20(12-4-7-24(22,23)10-12)16(21)17(5-6-17)14-9-19-15-3-2-11(18)8-13(14)15/h2-3,8-9,12,19H,4-7,10H2,1H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide?
1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 113210953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).