N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide

C14H19NO4S — CID 18155646

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
SMILESCCN(C(=O)c1cccc(OC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO4S/c1-3-15(12-7-8-20(17,18)10-12)14(16)11-5-4-6-13(9-11)19-2/h4-6,9,12H,3,7-8,10H2,1-2H3
InChIKeyHNQQAUQZFLRXTI-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.34
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide (PubChem CID 18155646) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
PubChem CID18155646
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
SMILESCCN(C(=O)c1cccc(OC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO4S/c1-3-15(12-7-8-20(17,18)10-12)14(16)11-5-4-6-13(9-11)19-2/h4-6,9,12H,3,7-8,10H2,1-2H3
InChIKeyHNQQAUQZFLRXTI-UHFFFAOYSA-N
XLogP1.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643442
N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide
CID 18593889
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxybenzamide
CID 7123350
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3-methoxybenzamide
CID 40643575
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27315976
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 7123354
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 43346859
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643441
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971534
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051668

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide (CID 18155646) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide is CCN(C(=O)c1cccc(OC)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide?
The InChIKey is HNQQAUQZFLRXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-15(12-7-8-20(17,18)10-12)14(16)11-5-4-6-13(9-11)19-2/h4-6,9,12H,3,7-8,10H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide has a molecular weight of 297.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 18155646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).