2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide

C14H20N2O3S — CID 41411938

IUPAC2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN[C@]2(C)CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-12(8-11)16-13(17)9-15-14(2)6-7-20(18,19)10-14/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyUCLIQTJQJOQVKP-CQSZACIVSA-N
MW296.39 g/mol
LogP1.10
Rot. Bonds4

About 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide

2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide (PubChem CID 41411938) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
PubChem CID41411938
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN[C@]2(C)CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-12(8-11)16-13(17)9-15-14(2)6-7-20(18,19)10-14/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyUCLIQTJQJOQVKP-CQSZACIVSA-N
XLogP1.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 60655415
N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18124417
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(3-methylphenyl)acetamide
CID 62518654
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
CID 78915363
[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-methylbenzoate
CID 16527916
N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18192854
2-[(3,3-dimethylcyclopentyl)amino]-N-(3-methylphenyl)acetamide
CID 114546053
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
4-(3-methylanilino)-1,1-dioxothiane-4-carboxamide
CID 54983212
2-[(1-aminocyclopentyl)methoxy]-N-(3-methylphenyl)acetamide
CID 64573088
3-methyl-N-[1-(3-methylphenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43780150
2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide
CID 154930175

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide (CID 41411938) is 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN[C@]2(C)CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide?
The InChIKey is UCLIQTJQJOQVKP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-4-3-5-12(8-11)16-13(17)9-15-14(2)6-7-20(18,19)10-14/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide?
2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 41411938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).