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

C14H17NO3S — CID 5164890

IUPACN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C14H17NO3S/c1-10-4-5-13(8-11(10)2)15(12(3)16)14-6-7-19(17,18)9-14/h4-8,14H,9H2,1-3H3
InChIKeyICQVYSLMHSEIFN-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.97
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (PubChem CID 5164890) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
PubChem CID5164890
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C14H17NO3S/c1-10-4-5-13(8-11(10)2)15(12(3)16)14-6-7-19(17,18)9-14/h4-8,14H,9H2,1-3H3
InChIKeyICQVYSLMHSEIFN-UHFFFAOYSA-N
XLogP1.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-ethylphenyl)acetamide
CID 2970088
N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 2974126
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)cyclopentanecarboxamide
CID 2983557
N-(1,1-dioxo(3-2,3-dihydrothienyl))-N-(4-methylphenyl)acetamide
CID 3155320
N-(3,4-dimethylphenyl)-N-(1,1-dioxido-2,3-dihydrothien-3-yl)cyclopentanecarboxamide
CID 3244561
N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 4839937
5-[(Dimethylamino)methylene]-3-(4-methylphenyl)-1lambda~6~,3-thiazolane-1,1,4-trione
CID 5524335
N-cyclopentyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16326578
N-(3,4-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 764239
N-[[4-(4-acetylpiperazin-1-yl)-2-methylphenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89659460
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-isopropylphenyl)acetamide
CID 2982648
N-(3,4-Dimethyl-phenyl)-N-(1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-methanesulfonamide
CID 648235

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (CID 5164890) is N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is CC(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The InChIKey is ICQVYSLMHSEIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-4-5-13(8-11(10)2)15(12(3)16)14-6-7-19(17,18)9-14/h4-8,14H,9H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 5164890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).