2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide

C14H20N2O2S — CID 2647854

IUPAC2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSCc1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-11(2)8-15-14(18)16-13(17)10-19-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyARZGBNSEKKBUFG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.40
Rot. Bonds6

About 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide

2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 2647854) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID2647854
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSCc1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-11(2)8-15-14(18)16-13(17)10-19-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyARZGBNSEKKBUFG-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 7714548
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 4051630
2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 43238546
(2R)-2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 78975413
N-(2-methylpropylcarbamoyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943993
2-[(2-benzylsulfanylacetyl)amino]-3-methylbutanoic acid
CID 43091556
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
3-[(2-benzylsulfanylacetyl)amino]-2-methylbutanoic acid
CID 113415799
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 7681713
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40524672

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide (CID 2647854) is 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is ARZGBNSEKKBUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(2)8-15-14(18)16-13(17)10-19-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 2647854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).