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

C17H23NO3S — CID 3241891

IUPACN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide
SMILESCCCCC(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H23NO3S/c1-4-5-6-17(19)18(16-9-10-22(20,21)12-16)15-8-7-13(2)14(3)11-15/h7-11,16H,4-6,12H2,1-3H3
InChIKeyYTXBNHQPSVVPEP-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.14
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide (PubChem CID 3241891) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide
PubChem CID3241891
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC NameN-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide
SMILESCCCCC(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H23NO3S/c1-4-5-6-17(19)18(16-9-10-22(20,21)12-16)15-8-7-13(2)14(3)11-15/h7-11,16H,4-6,12H2,1-3H3
InChIKeyYTXBNHQPSVVPEP-UHFFFAOYSA-N
XLogP3.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.14
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-(1,1-dioxido-2,3-dihydrothien-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide
CID 3235691
N-(1,1-Dioxido-2,3-dihydro-3-thiophenyl)-2-ethyl-N-(4-fluorophenyl)butanamide
CID 3238494
N-(3,4-dimethylphenyl)-N-(1,1-dioxido-2,3-dihydrothien-3-yl)cyclopentanecarboxamide
CID 3244561
4-(3,4-Dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione
CID 3763898
N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 4839937
N-cyclopentyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16326578
N-(3,4-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 764239
N-(1,1-Dioxido-2,3-dihydro-3-thienyl)-2-fluoro-N-(3-methylphenyl)benzamide
CID 2856901

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide (CID 3241891) is N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide is CCCCC(=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)pentanamide?
The InChIKey is YTXBNHQPSVVPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-4-5-6-17(19)18(16-9-10-22(20,21)12-16)15-8-7-13(2)14(3)11-15/h7-11,16H,4-6,12H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide?
N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pentanamide has a molecular weight of 321.44 g/mol, XLogP of 3.14, 5 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)pentanamide is sourced from PubChem (CID 3241891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).