N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide

C17H19NO2S — CID 78856906

IUPACN-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
SMILESCC(CO)NC(=O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-13(11-19)18-17(20)15-9-7-14(8-10-15)12-21-16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,18,20)
InChIKeyLDURFSJOKOXJNC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.09
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide

N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide (PubChem CID 78856906) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
PubChem CID78856906
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
SMILESCC(CO)NC(=O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-13(11-19)18-17(20)15-9-7-14(8-10-15)12-21-16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,18,20)
InChIKeyLDURFSJOKOXJNC-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28580089
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 119509159
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120652660

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide (CID 78856906) is N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide is CC(CO)NC(=O)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is LDURFSJOKOXJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13(11-19)18-17(20)15-9-7-14(8-10-15)12-21-16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,18,20).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide?
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 301.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 78856906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).