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

C15H22N2OS — CID 103144489

IUPACN-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCSCC2)c(C)cc1N
InChIInChI=1S/C15H22N2OS/c1-10-8-14(11(2)7-13(10)16)17-15(18)9-12-3-5-19-6-4-12/h7-8,12H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyCFEVVXBKAIOWMV-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.36
Rot. Bonds3

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

N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide (PubChem CID 103144489) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide
PubChem CID103144489
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCSCC2)c(C)cc1N
InChIInChI=1S/C15H22N2OS/c1-10-8-14(11(2)7-13(10)16)17-15(18)9-12-3-5-19-6-4-12/h7-8,12H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyCFEVVXBKAIOWMV-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 83144754
N-(2-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83145566
N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide
CID 110857463
N-(4-amino-2-bromophenyl)-2-(thian-4-yl)acetamide
CID 83144750
N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide
CID 83145658
N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
CID 103144399
N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
CID 110865536
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848
N-(3-amino-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 83146084
4-bromo-2-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 83145281
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide
CID 114051060
N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
CID 114212732

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide (CID 103144489) is N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide is Cc1cc(NC(=O)CC2CCSCC2)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide?
The InChIKey is CFEVVXBKAIOWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-8-14(11(2)7-13(10)16)17-15(18)9-12-3-5-19-6-4-12/h7-8,12H,3-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide?
N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 103144489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).