3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide

C15H19NO3S — CID 95125841

IUPAC3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
SMILESCc1cc(C)cc(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C15H19NO3S/c1-11-7-12(2)9-13(8-11)3-4-15(17)16-14-5-6-20(18,19)10-14/h5-9,14H,3-4,10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyMHXDDUGMDWRHAP-CQSZACIVSA-N
MW293.39 g/mol
LogP1.66
Rot. Bonds4

About 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide

3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide (PubChem CID 95125841) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
PubChem CID95125841
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
SMILESCc1cc(C)cc(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C15H19NO3S/c1-11-7-12(2)9-13(8-11)3-4-15(17)16-14-5-6-20(18,19)10-14/h5-9,14H,3-4,10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyMHXDDUGMDWRHAP-CQSZACIVSA-N
XLogP1.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide (CID 95125841) is 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide is Cc1cc(C)cc(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide?
The InChIKey is MHXDDUGMDWRHAP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11-7-12(2)9-13(8-11)3-4-15(17)16-14-5-6-20(18,19)10-14/h5-9,14H,3-4,10H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide?
3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide has a molecular weight of 293.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide is sourced from PubChem (CID 95125841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).