N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide

C16H20N2O6S — CID 113206751

IUPACN-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NC3CCS(=O)(=O)C3)c2c(OC)c1OC
InChIInChI=1S/C16H20N2O6S/c1-22-12-6-11-13(15(24-3)14(12)23-2)10(7-17-11)16(19)18-9-4-5-25(20,21)8-9/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyXHNDWXVKPUNAKS-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.11
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide (PubChem CID 113206751) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
PubChem CID113206751
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NC3CCS(=O)(=O)C3)c2c(OC)c1OC
InChIInChI=1S/C16H20N2O6S/c1-22-12-6-11-13(15(24-3)14(12)23-2)10(7-17-11)16(19)18-9-4-5-25(20,21)8-9/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyXHNDWXVKPUNAKS-UHFFFAOYSA-N
XLogP1.11
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-4-methylbenzamide
CID 46560159
N-(1,1-dioxothiolan-3-yl)-2-methoxy-5-propan-2-ylbenzamide
CID 110761451
7-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 29133703
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
CID 113206816
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 29357148
N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 42570988
N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 110852767
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
CID 27710236
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide (CID 113206751) is N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)NC3CCS(=O)(=O)C3)c2c(OC)c1OC.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The InChIKey is XHNDWXVKPUNAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-22-12-6-11-13(15(24-3)14(12)23-2)10(7-17-11)16(19)18-9-4-5-25(20,21)8-9/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 1.11, 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)-4,5,6-trimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).