N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide

C18H24N2O3S — CID 70746777

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2c(C)ccc(C)c2c1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O3S/c1-5-20(14-8-9-24(22,23)10-14)18(21)17-13(4)15-11(2)6-7-12(3)16(15)19-17/h6-7,14,19H,5,8-10H2,1-4H3
InChIKeyDNIRMYAJJYQXCB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.74
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 70746777) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide
PubChem CID70746777
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2c(C)ccc(C)c2c1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O3S/c1-5-20(14-8-9-24(22,23)10-14)18(21)17-13(4)15-11(2)6-7-12(3)16(15)19-17/h6-7,14,19H,5,8-10H2,1-4H3
InChIKeyDNIRMYAJJYQXCB-UHFFFAOYSA-N
XLogP2.74
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide
CID 110761487
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-methyl-5-methylsulfonylbenzamide
CID 8834152
3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide
CID 97028486
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 95661365
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901995
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxopyran-3-carboxamide
CID 110697481
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52528292
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110853744

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide (CID 70746777) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide is CCN(C(=O)c1[nH]c2c(C)ccc(C)c2c1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is DNIRMYAJJYQXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-20(14-8-9-24(22,23)10-14)18(21)17-13(4)15-11(2)6-7-12(3)16(15)19-17/h6-7,14,19H,5,8-10H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70746777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).