N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide

C15H19N3O5S2 — CID 86207176

IUPACN-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O5S2/c1-24(20,21)17-13-3-2-4-14-12(13)5-7-18(14)9-15(19)16-11-6-8-25(22,23)10-11/h2-5,7,11,17H,6,8-10H2,1H3,(H,16,19)
InChIKeyKRSKRNCKUQYFGX-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.32
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide (PubChem CID 86207176) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
PubChem CID86207176
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O5S2/c1-24(20,21)17-13-3-2-4-14-12(13)5-7-18(14)9-15(19)16-11-6-8-25(22,23)10-11/h2-5,7,11,17H,6,8-10H2,1H3,(H,16,19)
InChIKeyKRSKRNCKUQYFGX-UHFFFAOYSA-N
XLogP0.32
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 86206980
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418283
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
CID 91822129
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 71896773
2-(6-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 29140198
2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 29135199
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
CID 124878602
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 91638913
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 124855022

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide (CID 86207176) is N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide is CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide?
The InChIKey is KRSKRNCKUQYFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-24(20,21)17-13-3-2-4-14-12(13)5-7-18(14)9-15(19)16-11-6-8-25(22,23)10-11/h2-5,7,11,17H,6,8-10H2,1H3,(H,16,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide is sourced from PubChem (CID 86207176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).