N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide

C14H17NO3S — CID 1306058

IUPACN-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
SMILESCC(=O)N(c1cccc(C)c1C)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H17NO3S/c1-10-5-4-6-14(11(10)2)15(12(3)16)13-7-8-19(17,18)9-13/h4-8,13H,9H2,1-3H3/t13-/m0/s1
InChIKeyMYHKTXBCMWLYAO-ZDUSSCGKSA-N
MW279.36 g/mol
LogP1.97
Rot. Bonds2

About N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide

N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide (PubChem CID 1306058) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
PubChem CID1306058
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
SMILESCC(=O)N(c1cccc(C)c1C)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H17NO3S/c1-10-5-4-6-14(11(10)2)15(12(3)16)13-7-8-19(17,18)9-13/h4-8,13H,9H2,1-3H3/t13-/m0/s1
InChIKeyMYHKTXBCMWLYAO-ZDUSSCGKSA-N
XLogP1.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 5164890
2,2,2-trichloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylphenyl)acetamide
CID 21179846
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide
CID 1243624
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1258077
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(2-ethylphenyl)-3-methylbenzamide
CID 40642877
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methylbenzamide
CID 40505440
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277
N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 6556149
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 6619989
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2,2,2-trifluoro-N-(2-methoxyphenyl)acetamide
CID 1415248
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide (CID 1306058) is N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide is CC(=O)N(c1cccc(C)c1C)[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide?
The InChIKey is MYHKTXBCMWLYAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-5-4-6-14(11(10)2)15(12(3)16)13-7-8-19(17,18)9-13/h4-8,13H,9H2,1-3H3/t13-/m0/s1.
What are the key properties of N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide?
N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide is sourced from PubChem (CID 1306058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).