N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide

C19H23N3O3S — CID 51117326

IUPACN-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide
SMILESCN(c1ccccc1)c1ccccc1NCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O3S/c1-22(16-7-3-2-4-8-16)18-10-6-5-9-17(18)20-13-19(23)21-15-11-12-26(24,25)14-15/h2-10,15,20H,11-14H2,1H3,(H,21,23)
InChIKeyFZSCLBKNWHGQRS-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.17
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide (PubChem CID 51117326) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide
PubChem CID51117326
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide
SMILESCN(c1ccccc1)c1ccccc1NCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O3S/c1-22(16-7-3-2-4-8-16)18-10-6-5-9-17(18)20-13-19(23)21-15-11-12-26(24,25)14-15/h2-10,15,20H,11-14H2,1H3,(H,21,23)
InChIKeyFZSCLBKNWHGQRS-UHFFFAOYSA-N
XLogP2.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 51957227
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109001792
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
CID 95141629
2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 109001805
2-(2-bromo-4-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52526163
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-phenylmethoxyacetyl)amino]acetamide
CID 94811329
3-(2-tert-butylanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026349
2-anilino-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethylacetamide
CID 119681738

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide (CID 51117326) is N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide is CN(c1ccccc1)c1ccccc1NCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide?
The InChIKey is FZSCLBKNWHGQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-22(16-7-3-2-4-8-16)18-10-6-5-9-17(18)20-13-19(23)21-15-11-12-26(24,25)14-15/h2-10,15,20H,11-14H2,1H3,(H,21,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide is sourced from PubChem (CID 51117326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).