N-benzyl-2-phenylsulfanylbutanamide

C17H19NOS — CID 86913040

IUPACN-benzyl-2-phenylsulfanylbutanamide
SMILESCCC(Sc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-16(20-15-11-7-4-8-12-15)17(19)18-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3,(H,18,19)
InChIKeyYZRNAODITZNAQG-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.87
Rot. Bonds6

About N-benzyl-2-phenylsulfanylbutanamide

N-benzyl-2-phenylsulfanylbutanamide (PubChem CID 86913040) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-benzyl-2-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-benzyl-2-phenylsulfanylbutanamide
PubChem CID86913040
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-benzyl-2-phenylsulfanylbutanamide
SMILESCCC(Sc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-16(20-15-11-7-4-8-12-15)17(19)18-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3,(H,18,19)
InChIKeyYZRNAODITZNAQG-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[3-(carbamoylamino)phenyl]methyl]-2-phenylsulfanylbutanamide
CID 95979709
N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide
CID 119628134
N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride
CID 119431776
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
(2S)-2-(2-phenylsulfanylbutanoylamino)propanoic acid
CID 119942887
N-benzyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 46658516
2-(4-chlorophenyl)sulfanyl-N-[[4-(diethylamino)phenyl]methyl]butanamide
CID 133199616
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546648
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylsulfanylbutanamide?
The IUPAC name of N-benzyl-2-phenylsulfanylbutanamide (CID 86913040) is N-benzyl-2-phenylsulfanylbutanamide.
What is the SMILES notation for N-benzyl-2-phenylsulfanylbutanamide?
The canonical SMILES for N-benzyl-2-phenylsulfanylbutanamide is CCC(Sc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-phenylsulfanylbutanamide?
The InChIKey is YZRNAODITZNAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-16(20-15-11-7-4-8-12-15)17(19)18-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3,(H,18,19).
What are the key properties of N-benzyl-2-phenylsulfanylbutanamide?
N-benzyl-2-phenylsulfanylbutanamide has a molecular weight of 285.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylsulfanylbutanamide is sourced from PubChem (CID 86913040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).