N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide

C14H22N2OS — CID 115639969

IUPACN-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide
SMILESCSCCC(C)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2OS/c1-11(8-9-18-3)15-10-13-4-6-14(7-5-13)16-12(2)17/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyAFQKJQKIDSSMFH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.88
Rot. Bonds7

About N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide

N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 115639969) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide
PubChem CID115639969
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide
SMILESCSCCC(C)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2OS/c1-11(8-9-18-3)15-10-13-4-6-14(7-5-13)16-12(2)17/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyAFQKJQKIDSSMFH-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 115640046
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640008
N-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenyl]acetamide
CID 43675757
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 113477091
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol
CID 165446376
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide (CID 115639969) is N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide is CSCCC(C)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is AFQKJQKIDSSMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(8-9-18-3)15-10-13-4-6-14(7-5-13)16-12(2)17/h4-7,11,15H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide?
N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 115639969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).