4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide

C20H25NO2S — CID 111447030

IUPAC4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(12-16(2)22)13-21-20(23)18-8-10-19(11-9-18)24-14-17-6-4-3-5-7-17/h3-11,15-16,22H,12-14H2,1-2H3,(H,21,23)
InChIKeyCTONXIAXBXHFIJ-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.12
Rot. Bonds8

About 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide

4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide (PubChem CID 111447030) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide
PubChem CID111447030
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(12-16(2)22)13-21-20(23)18-8-10-19(11-9-18)24-14-17-6-4-3-5-7-17/h3-11,15-16,22H,12-14H2,1-2H3,(H,21,23)
InChIKeyCTONXIAXBXHFIJ-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 111448039
N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
CID 119995528
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120652660
N-(4-hydroxy-2-methylpentyl)-4-[2-(2-methylphenyl)phenyl]sulfanylbenzamide
CID 129173148
N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
CID 119629882
4-benzylsulfanyl-N-[3-(methylamino)propyl]benzamide
CID 119433476
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853
4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447534
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide (CID 111447030) is 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide is CC(O)CC(C)CNC(=O)c1ccc(SCc2ccccc2)cc1.
What is the InChIKey of 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide?
The InChIKey is CTONXIAXBXHFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(12-16(2)22)13-21-20(23)18-8-10-19(11-9-18)24-14-17-6-4-3-5-7-17/h3-11,15-16,22H,12-14H2,1-2H3,(H,21,23).
What are the key properties of 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide?
4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide has a molecular weight of 343.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 111447030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).