2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide

C16H24N2O2S — CID 3435227

IUPAC2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide
SMILESCCCCN(C)C(=O)C(CSc1ccccc1)NC(C)=O
InChIInChI=1S/C16H24N2O2S/c1-4-5-11-18(3)16(20)15(17-13(2)19)12-21-14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3,(H,17,19)
InChIKeyABLXSGBULIPLLW-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.54
Rot. Bonds8

About 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide

2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide (PubChem CID 3435227) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide
PubChem CID3435227
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide
SMILESCCCCN(C)C(=O)C(CSc1ccccc1)NC(C)=O
InChIInChI=1S/C16H24N2O2S/c1-4-5-11-18(3)16(20)15(17-13(2)19)12-21-14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3,(H,17,19)
InChIKeyABLXSGBULIPLLW-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-butyl-N-methyl-3-(3-nitrophenyl)sulfanylpropanamide
CID 3927695
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 4528480
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 4030996
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 4029386
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 64583484
tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate
CID 110415926

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide (CID 3435227) is 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide is CCCCN(C)C(=O)C(CSc1ccccc1)NC(C)=O.
What is the InChIKey of 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide?
The InChIKey is ABLXSGBULIPLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-5-11-18(3)16(20)15(17-13(2)19)12-21-14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3,(H,17,19).
What are the key properties of 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide?
2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 3435227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).