N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide

C13H15NO3S — CID 6619989

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C13H15NO3S/c1-2-13(15)14(11-6-4-3-5-7-11)12-8-9-18(16,17)10-12/h3-9,12H,2,10H2,1H3
InChIKeyCNYSUYQRUYCTKD-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.74
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide (PubChem CID 6619989) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
PubChem CID6619989
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C13H15NO3S/c1-2-13(15)14(11-6-4-3-5-7-11)12-8-9-18(16,17)10-12/h3-9,12H,2,10H2,1H3
InChIKeyCNYSUYQRUYCTKD-UHFFFAOYSA-N
XLogP1.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylpentanamide
CID 40505612
ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylcarbamate
CID 102566492
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 40505382
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277
3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 167758737
[2-(N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 4-ethylbenzoate
CID 8014856
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzamide
CID 2222051
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-2-phenoxyacetamide
CID 2910351
[2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535771
ethyl 4-[2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8544037
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)-2-phenoxyacetamide
CID 3242490
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 7486953

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide (CID 6619989) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide?
The InChIKey is CNYSUYQRUYCTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-2-13(15)14(11-6-4-3-5-7-11)12-8-9-18(16,17)10-12/h3-9,12H,2,10H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide has a molecular weight of 265.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 6619989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).