N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide

C15H21NOS — CID 110857463

IUPACN-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CC2CCSCC2)c1
InChIInChI=1S/C15H21NOS/c1-11-7-12(2)9-14(8-11)16-15(17)10-13-3-5-18-6-4-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyVXJRUCYYWPUGRD-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.78
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide

N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide (PubChem CID 110857463) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide
PubChem CID110857463
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CC2CCSCC2)c1
InChIInChI=1S/C15H21NOS/c1-11-7-12(2)9-14(8-11)16-15(17)10-13-3-5-18-6-4-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyVXJRUCYYWPUGRD-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-cyclopropylacetyl)amino]-5-methylphenyl]boronic acid
CID 164648637
N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide
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N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
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N-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
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N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
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N-(4-bromo-3-fluorophenyl)-2-(thian-4-yl)acetamide
CID 80709494
1-(3,5-dimethylphenyl)-3-(thian-4-yl)propan-2-one
CID 105081386
N-[3-(chloromethyl)phenyl]-2-(thian-4-yl)acetamide
CID 83138099
N-(4-amino-2-bromophenyl)-2-(thian-4-yl)acetamide
CID 83144750
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848
N-(3-amino-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 83146084
2-fluoro-4-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 103925741

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide (CID 110857463) is N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide is Cc1cc(C)cc(NC(=O)CC2CCSCC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide?
The InChIKey is VXJRUCYYWPUGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-7-12(2)9-14(8-11)16-15(17)10-13-3-5-18-6-4-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide has a molecular weight of 263.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 110857463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).