N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide

C15H22N2OS — CID 79951402

IUPACN-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2CSCCC2(C)C)c1
InChIInChI=1S/C15H22N2OS/c1-11(18)16-12-5-4-6-13(9-12)17-14-10-19-8-7-15(14,2)3/h4-6,9,14,17H,7-8,10H2,1-3H3,(H,16,18)
InChIKeySBJWOTQYFHUNDV-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.59
Rot. Bonds3

About N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide

N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide (PubChem CID 79951402) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide
PubChem CID79951402
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2CSCCC2(C)C)c1
InChIInChI=1S/C15H22N2OS/c1-11(18)16-12-5-4-6-13(9-12)17-14-10-19-8-7-15(14,2)3/h4-6,9,14,17H,7-8,10H2,1-3H3,(H,16,18)
InChIKeySBJWOTQYFHUNDV-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4,4-dimethylthian-3-yl)amino]benzamide
CID 79952112
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
4,4-dimethyl-N-(3-methylsulfanylphenyl)thian-3-amine
CID 79952102
2-[3-[(4,4-dimethylthian-3-yl)amino]phenoxy]acetamide
CID 79947927
4,4-dimethyl-N-naphthalen-2-ylthian-3-amine
CID 79951922
N-[4-[(4,4-dimethylthian-3-yl)amino]phenyl]-2-methylpropanamide
CID 79954643
4,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thian-3-amine
CID 79948357
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
N-[3-[(4,4-dimethylthian-3-yl)amino]-2-methylphenyl]propanamide
CID 79954960
4,4-dimethyl-N-(4-methylsulfonylphenyl)thian-3-amine
CID 79951504
ethyl 4-[(4,4-dimethylthian-3-yl)amino]benzoate
CID 79951721
4,4-dimethyl-N-[4-(trifluoromethylsulfanyl)phenyl]thian-3-amine
CID 79948259

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide (CID 79951402) is N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(NC2CSCCC2(C)C)c1.
What is the InChIKey of N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide?
The InChIKey is SBJWOTQYFHUNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(18)16-12-5-4-6-13(9-12)17-14-10-19-8-7-15(14,2)3/h4-6,9,14,17H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide?
N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide has a molecular weight of 278.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-dimethylthian-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 79951402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).