N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide

C15H19NO4S — CID 43859573

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide
SMILESCOc1cccc(N(C(=O)C(C)C)C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C15H19NO4S/c1-11(2)15(17)16(13-7-8-21(18,19)10-13)12-5-4-6-14(9-12)20-3/h4-9,11,13H,10H2,1-3H3
InChIKeyDLNDABFKTSMMAC-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.99
Rot. Bonds4

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

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide (PubChem CID 43859573) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide
PubChem CID43859573
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide
SMILESCOc1cccc(N(C(=O)C(C)C)C2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C15H19NO4S/c1-11(2)15(17)16(13-7-8-21(18,19)10-13)12-5-4-6-14(9-12)20-3/h4-9,11,13H,10H2,1-3H3
InChIKeyDLNDABFKTSMMAC-UHFFFAOYSA-N
XLogP1.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-(3-methylphenyl)propanamide
CID 27396518
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-(3-methylphenyl)propanamide
CID 27396519
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)-3-methoxybenzamide
CID 40505746
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40505453
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 40505436
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluoro-N-(4-methoxyphenyl)benzamide
CID 40505789
3-bromo-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)benzamide
CID 41235923
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)-2-(3-methylphenyl)acetamide
CID 51400340
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)-2-(3-methylphenyl)acetamide
CID 51400339
(2S)-N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-phenoxypropanamide
CID 40505996
(2S)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-phenoxy-N-(4-propan-2-ylphenyl)propanamide
CID 7486967
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 7481424

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide (CID 43859573) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide is COc1cccc(N(C(=O)C(C)C)C2C=CS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide?
The InChIKey is DLNDABFKTSMMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11(2)15(17)16(13-7-8-21(18,19)10-13)12-5-4-6-14(9-12)20-3/h4-9,11,13H,10H2,1-3H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide has a molecular weight of 309.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 43859573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).