N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C14H19NO3S — CID 7115987

IUPACN-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C14H19NO3S/c1-10-3-4-13(7-11(10)2)15-14(16)8-12-5-6-19(17,18)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyKRDSOQFSONTOMR-LBPRGKRZSA-N
MW281.38 g/mol
LogP2.07
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7115987) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7115987
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C14H19NO3S/c1-10-3-4-13(7-11(10)2)15-14(16)8-12-5-6-19(17,18)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyKRDSOQFSONTOMR-LBPRGKRZSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodo-4-methylphenyl)acetamide
CID 9047493
N-(3-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844
N-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 16590105
N-(4-amino-3-methoxyphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 61239465
N-(4-aminophenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55163078
N-(5-bromo-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 43806574
N-(1,3-benzodioxol-5-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9042682
4-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid
CID 43649099
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-iodophenyl)acetamide
CID 9046010
4-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzamide
CID 9207165
2-(1,1-dioxothiolan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17463040
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 9043155

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 7115987) is N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is Cc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is KRDSOQFSONTOMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10-3-4-13(7-11(10)2)15-14(16)8-12-5-6-19(17,18)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7115987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).