N-acetyl-2-benzylsulfanyl-N-methylacetamide

C12H15NO2S — CID 20540314

IUPACN-acetyl-2-benzylsulfanyl-N-methylacetamide
SMILESCC(=O)N(C)C(=O)CSCc1ccccc1
InChIInChI=1S/C12H15NO2S/c1-10(14)13(2)12(15)9-16-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeySBSSYJDNSVWKFQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.92
Rot. Bonds4

About N-acetyl-2-benzylsulfanyl-N-methylacetamide

N-acetyl-2-benzylsulfanyl-N-methylacetamide (PubChem CID 20540314) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-acetyl-2-benzylsulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-acetyl-2-benzylsulfanyl-N-methylacetamide
PubChem CID20540314
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-acetyl-2-benzylsulfanyl-N-methylacetamide
SMILESCC(=O)N(C)C(=O)CSCc1ccccc1
InChIInChI=1S/C12H15NO2S/c1-10(14)13(2)12(15)9-16-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeySBSSYJDNSVWKFQ-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzylsulfanyl-3-methylbut-2-enoic acid
CID 76975116
2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
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acetic acid;benzylsulfanylmethylbenzene;guanidine
CID 174558174
2-benzylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86998537
2-[benzyl-(2-benzylsulfanylacetyl)amino]-N-methylpropanamide
CID 132653824
(2R)-2-[benzyl-(2-benzylsulfanylacetyl)amino]-N-methylpropanamide
CID 100561434
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438577
N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide
CID 112768933
N-benzyl-N-methyl-2-(3-oxobutylsulfanyl)acetamide
CID 83970924
(2R)-2-[benzyl-(2-benzylsulfanylacetyl)amino]-N-propylbutanamide
CID 100536693
2-benzylsulfanyl-N-phenylacetamide
CID 584914

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-benzylsulfanyl-N-methylacetamide?
The IUPAC name of N-acetyl-2-benzylsulfanyl-N-methylacetamide (CID 20540314) is N-acetyl-2-benzylsulfanyl-N-methylacetamide.
What is the SMILES notation for N-acetyl-2-benzylsulfanyl-N-methylacetamide?
The canonical SMILES for N-acetyl-2-benzylsulfanyl-N-methylacetamide is CC(=O)N(C)C(=O)CSCc1ccccc1.
What is the InChIKey of N-acetyl-2-benzylsulfanyl-N-methylacetamide?
The InChIKey is SBSSYJDNSVWKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-10(14)13(2)12(15)9-16-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of N-acetyl-2-benzylsulfanyl-N-methylacetamide?
N-acetyl-2-benzylsulfanyl-N-methylacetamide has a molecular weight of 237.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-benzylsulfanyl-N-methylacetamide is sourced from PubChem (CID 20540314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).