2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide

C16H19ClN2O3S — CID 113210482

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCS(=O)(=O)C1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H19ClN2O3S/c1-16(2,15(20)19-11-5-6-23(21,22)9-11)13-8-18-14-7-10(17)3-4-12(13)14/h3-4,7-8,11,18H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyPZKAXKIEBHXQRF-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.40
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide

2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide (PubChem CID 113210482) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
PubChem CID113210482
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCS(=O)(=O)C1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H19ClN2O3S/c1-16(2,15(20)19-11-5-6-23(21,22)9-11)13-8-18-14-7-10(17)3-4-12(13)14/h3-4,7-8,11,18H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyPZKAXKIEBHXQRF-UHFFFAOYSA-N
XLogP2.40
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 29133703
N-(4-chloro-2-methylphenyl)-N'-(1,1-dioxothiolan-3-yl)-2,2-dimethylpropanediamide
CID 108964666
2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide
CID 110606031
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 113210447
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210464
N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 110852767
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547
5-chloro-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)benzamide
CID 55042392

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide (CID 113210482) is 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide is CC(C)(C(=O)NC1CCS(=O)(=O)C1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The InChIKey is PZKAXKIEBHXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-16(2,15(20)19-11-5-6-23(21,22)9-11)13-8-18-14-7-10(17)3-4-12(13)14/h3-4,7-8,11,18H,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide has a molecular weight of 354.86 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113210482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).