N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide

C17H26N2O6S — CID 109003567

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCCN(C(=O)CNc1cc(OC)c(OC)c(OC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N2O6S/c1-5-19(13-6-7-26(21,22)11-13)16(20)10-18-12-8-14(23-2)17(25-4)15(9-12)24-3/h8-9,13,18H,5-7,10-11H2,1-4H3
InChIKeyHBDRQNUUZOMRHN-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.16
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 109003567) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID109003567
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCCN(C(=O)CNc1cc(OC)c(OC)c(OC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N2O6S/c1-5-19(13-6-7-26(21,22)11-13)16(20)10-18-12-8-14(23-2)17(25-4)15(9-12)24-3/h8-9,13,18H,5-7,10-11H2,1-4H3
InChIKeyHBDRQNUUZOMRHN-UHFFFAOYSA-N
XLogP1.16
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520987
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 39966375
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003562
2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78821733
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]amino]benzoate
CID 109003544
N-[(3,4-dimethoxyphenyl)methyl]-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108949884
3-(3,5-dimethoxyphenyl)-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108869478
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536588
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109003553
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112978311
N-(2,5-dimethoxyphenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950170
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 98146821

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide (CID 109003567) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide is CCN(C(=O)CNc1cc(OC)c(OC)c(OC)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is HBDRQNUUZOMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-5-19(13-6-7-26(21,22)11-13)16(20)10-18-12-8-14(23-2)17(25-4)15(9-12)24-3/h8-9,13,18H,5-7,10-11H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 386.47 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 109003567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).