2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide

C18H21NOS — CID 30381565

IUPAC2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CSCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-2-17(16-11-7-4-8-12-16)19-18(20)14-21-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyGSAUCUTYKUFPBH-KRWDZBQOSA-N
MW299.44 g/mol
LogP4.19
Rot. Bonds7

About 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide

2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide (PubChem CID 30381565) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
PubChem CID30381565
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CSCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-2-17(16-11-7-4-8-12-16)19-18(20)14-21-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyGSAUCUTYKUFPBH-KRWDZBQOSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
N-[(1S)-1-phenylbutyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 51963299
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
CID 43877007
(2R)-2-[(2-benzylsulfanylacetyl)amino]pentanoic acid
CID 93252347
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487345
methyl 3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanoate
CID 71944020
3-benzylsulfanyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 132659492

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide (CID 30381565) is 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide is CC[C@H](NC(=O)CSCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide?
The InChIKey is GSAUCUTYKUFPBH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NOS/c1-2-17(16-11-7-4-8-12-16)19-18(20)14-21-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide?
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide is sourced from PubChem (CID 30381565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).