2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide

C20H22N2O4S — CID 25355616

IUPAC2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
SMILESCC(=O)c1cccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H22N2O4S/c1-15(23)16-6-5-7-17(12-16)21-13-20(24)22(18-8-3-2-4-9-18)19-10-11-27(25,26)14-19/h2-9,12,19,21H,10-11,13-14H2,1H3/t19-/m0/s1
InChIKeyYEOYXNSTBKULJJ-IBGZPJMESA-N
MW386.47 g/mol
LogP2.52
Rot. Bonds6

About 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide

2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide (PubChem CID 25355616) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
PubChem CID25355616
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
SMILESCC(=O)c1cccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H22N2O4S/c1-15(23)16-6-5-7-17(12-16)21-13-20(24)22(18-8-3-2-4-9-18)19-10-11-27(25,26)14-19/h2-9,12,19,21H,10-11,13-14H2,1H3/t19-/m0/s1
InChIKeyYEOYXNSTBKULJJ-IBGZPJMESA-N
XLogP2.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78821733
2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 24614670
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
2-(4-chloro-2-methoxy-5-methylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 39975418
2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 47018357
N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193326
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 24614734
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-nitroanilino)-N-phenylacetamide
CID 45354865
2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-phenylacetamide
CID 24614716
2-(2,4-dimethylphenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7458563
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972737

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide?
The IUPAC name of 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide (CID 25355616) is 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide is CC(=O)c1cccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide?
The InChIKey is YEOYXNSTBKULJJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15(23)16-6-5-7-17(12-16)21-13-20(24)22(18-8-3-2-4-9-18)19-10-11-27(25,26)14-19/h2-9,12,19,21H,10-11,13-14H2,1H3/t19-/m0/s1.
What are the key properties of 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide?
2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide has a molecular weight of 386.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide is sourced from PubChem (CID 25355616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).