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

C17H23NO3S — CID 40506122

IUPACN-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
SMILESCCCCC(=O)N(c1cc(C)cc(C)c1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H23NO3S/c1-4-5-6-17(19)18(15-7-8-22(20,21)12-15)16-10-13(2)9-14(3)11-16/h7-11,15H,4-6,12H2,1-3H3/t15-/m1/s1
InChIKeySLDZOXQUWDINEB-OAHLLOKOSA-N
MW321.44 g/mol
LogP3.14
Rot. Bonds5

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

N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide (PubChem CID 40506122) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
PubChem CID40506122
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC NameN-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
SMILESCCCCC(=O)N(c1cc(C)cc(C)c1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H23NO3S/c1-4-5-6-17(19)18(15-7-8-22(20,21)12-15)16-10-13(2)9-14(3)11-16/h7-11,15H,4-6,12H2,1-3H3/t15-/m1/s1
InChIKeySLDZOXQUWDINEB-OAHLLOKOSA-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-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylpentanamide
CID 40505612
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
CID 40505385
N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]butanamide
CID 40505669
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 6619989
2-bromo-N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 41236056
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 40505382
[2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535771
2-chloro-N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-fluorobenzamide
CID 40506146
2-chloro-N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-fluorobenzamide
CID 40506147
N-(2,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]butanamide
CID 40505998
ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylcarbamate
CID 102566492
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 7112646

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide (CID 40506122) is N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide is CCCCC(=O)N(c1cc(C)cc(C)c1)[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide?
The InChIKey is SLDZOXQUWDINEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-4-5-6-17(19)18(15-7-8-22(20,21)12-15)16-10-13(2)9-14(3)11-16/h7-11,15H,4-6,12H2,1-3H3/t15-/m1/s1.
What are the key properties of N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide?
N-(3,5-dimethylphenyl)-N-[(3R)-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-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide is sourced from PubChem (CID 40506122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).