2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide

C14H22N2OS — CID 78962175

IUPAC2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide
SMILESCC(C)CN(CCSc1ccccc1)CC(N)=O
InChIInChI=1S/C14H22N2OS/c1-12(2)10-16(11-14(15)17)8-9-18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,15,17)
InChIKeyAWSCJQLPPYPPHD-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.22
Rot. Bonds8

About 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide

2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide (PubChem CID 78962175) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide
PubChem CID78962175
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide
SMILESCC(C)CN(CCSc1ccccc1)CC(N)=O
InChIInChI=1S/C14H22N2OS/c1-12(2)10-16(11-14(15)17)8-9-18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,15,17)
InChIKeyAWSCJQLPPYPPHD-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide
CID 78993194
3-[ethyl(2-phenylsulfanylethyl)amino]-2-methylpropanethioamide
CID 79222046
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
3-[ethyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79227461
N-ethyl-2-methyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 79481980
2-[[2-(2-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62036439
2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide
CID 54942583
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 63068325
2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide?
The IUPAC name of 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide (CID 78962175) is 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide?
The canonical SMILES for 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide is CC(C)CN(CCSc1ccccc1)CC(N)=O.
What is the InChIKey of 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide?
The InChIKey is AWSCJQLPPYPPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-12(2)10-16(11-14(15)17)8-9-18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide?
2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide is sourced from PubChem (CID 78962175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).