2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide

C14H22N2OS — CID 66220592

IUPAC2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSC(C)CN)c1ccccc1C
InChIInChI=1S/C14H22N2OS/c1-4-16(13-8-6-5-7-11(13)2)14(17)10-18-12(3)9-15/h5-8,12H,4,9-10,15H2,1-3H3
InChIKeySEKHNWRQSXXTNL-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.43
Rot. Bonds6

About 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide

2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide (PubChem CID 66220592) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide
PubChem CID66220592
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSC(C)CN)c1ccccc1C
InChIInChI=1S/C14H22N2OS/c1-4-16(13-8-6-5-7-11(13)2)14(17)10-18-12(3)9-15/h5-8,12H,4,9-10,15H2,1-3H3
InChIKeySEKHNWRQSXXTNL-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467078
2-(2-aminophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 18070776
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 79411167
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] N-(diaminomethylidene)carbamimidothioate
CID 83082743
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
N-ethyl-N-(2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 3610846
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658
N-ethyl-2-(3-hydroxyazetidin-1-yl)-N-(2-methylphenyl)acetamide
CID 63282299

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide (CID 66220592) is 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide is CCN(C(=O)CSC(C)CN)c1ccccc1C.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide?
The InChIKey is SEKHNWRQSXXTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-16(13-8-6-5-7-11(13)2)14(17)10-18-12(3)9-15/h5-8,12H,4,9-10,15H2,1-3H3.
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide?
2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 66220592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).