N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide

C15H18N2O4S — CID 110852767

IUPACN-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NC3CCS(=O)(=O)C3)c[nH]c2c1
InChIInChI=1S/C15H18N2O4S/c1-21-12-2-3-13-10(8-16-14(13)7-12)6-15(18)17-11-4-5-22(19,20)9-11/h2-3,7-8,11,16H,4-6,9H2,1H3,(H,17,18)
InChIKeyGGKYUQRRPQNSPB-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.02
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide (PubChem CID 110852767) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
PubChem CID110852767
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NC3CCS(=O)(=O)C3)c[nH]c2c1
InChIInChI=1S/C15H18N2O4S/c1-21-12-2-3-13-10(8-16-14(13)7-12)6-15(18)17-11-4-5-22(19,20)9-11/h2-3,7-8,11,16H,4-6,9H2,1H3,(H,17,18)
InChIKeyGGKYUQRRPQNSPB-UHFFFAOYSA-N
XLogP1.02
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 40609388
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 171674164
2-(5-chloro-1H-indol-3-yl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]acetamide
CID 110606031
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
CID 95141629
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901965
2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110770066
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 97266226
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 41062204
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43177543

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide (CID 110852767) is N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide is COc1ccc2c(CC(=O)NC3CCS(=O)(=O)C3)c[nH]c2c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is GGKYUQRRPQNSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-21-12-2-3-13-10(8-16-14(13)7-12)6-15(18)17-11-4-5-22(19,20)9-11/h2-3,7-8,11,16H,4-6,9H2,1H3,(H,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110852767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).