2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide

C16H18ClN3O4S — CID 110606031

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(Cl)cc12)NCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H18ClN3O4S/c17-11-1-2-14-13(6-11)10(7-18-14)5-15(21)19-8-16(22)20-12-3-4-25(23,24)9-12/h1-2,6-7,12,18H,3-5,8-9H2,(H,19,21)(H,20,22)
InChIKeyZGHMOQJEZGQHSU-UHFFFAOYSA-N
MW383.86 g/mol
LogP0.78
Rot. Bonds5

About 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide

2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide (PubChem CID 110606031) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide
PubChem CID110606031
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(Cl)cc12)NCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H18ClN3O4S/c17-11-1-2-14-13(6-11)10(7-18-14)5-15(21)19-8-16(22)20-12-3-4-25(23,24)9-12/h1-2,6-7,12,18H,3-5,8-9H2,(H,19,21)(H,20,22)
InChIKeyZGHMOQJEZGQHSU-UHFFFAOYSA-N
XLogP0.78
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide with MolForge

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Related Compounds

2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111780922
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7-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 29133703
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 40609388
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
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N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 51957227
2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide (CID 110606031) is 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide is O=C(Cc1c[nH]c2ccc(Cl)cc12)NCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is ZGHMOQJEZGQHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c17-11-1-2-14-13(6-11)10(7-18-14)5-15(21)19-8-16(22)20-12-3-4-25(23,24)9-12/h1-2,6-7,12,18H,3-5,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide?
2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 383.86 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 110606031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).