N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

C14H17NO3S — CID 17413225

IUPACN-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2C=CS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C14H17NO3S/c1-10-3-4-13(11(2)7-10)15-14(16)8-12-5-6-19(17,18)9-12/h3-7,12H,8-9H2,1-2H3,(H,15,16)
InChIKeyUWCPDDKPDXREST-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.19
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (PubChem CID 17413225) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
PubChem CID17413225
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2C=CS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C14H17NO3S/c1-10-3-4-13(11(2)7-10)15-14(16)8-12-5-6-19(17,18)9-12/h3-7,12H,8-9H2,1-2H3,(H,15,16)
InChIKeyUWCPDDKPDXREST-UHFFFAOYSA-N
XLogP2.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetate
CID 55442286
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110857203
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
N'-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanediamide
CID 108949072
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
CID 108941058
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703519
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 108994489
N-[5-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 166404923
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (CID 17413225) is N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is Cc1ccc(NC(=O)CC2C=CS(=O)(=O)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The InChIKey is UWCPDDKPDXREST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-3-4-13(11(2)7-10)15-14(16)8-12-5-6-19(17,18)9-12/h3-7,12H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 17413225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).