N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide

C14H21NO3S — CID 103767369

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCSCCCO)cc1
InChIInChI=1S/C14H21NO3S/c1-18-11-12-3-5-13(6-4-12)14(17)15-7-10-19-9-2-8-16/h3-6,16H,2,7-11H2,1H3,(H,15,17)
InChIKeyPFKVKPVKAJUZPT-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.68
Rot. Bonds9

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide (PubChem CID 103767369) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
PubChem CID103767369
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCSCCCO)cc1
InChIInChI=1S/C14H21NO3S/c1-18-11-12-3-5-13(6-4-12)14(17)15-7-10-19-9-2-8-16/h3-6,16H,2,7-11H2,1H3,(H,15,17)
InChIKeyPFKVKPVKAJUZPT-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767468
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 18113780
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methoxy-4-nitrobenzamide
CID 103800936
4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 71850129
3,5-difluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767454
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
4-bromo-3-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800654
3-chloro-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800743
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
3-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-iodobenzamide
CID 103800850
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 103767403

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide (CID 103767369) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCCSCCCO)cc1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is PFKVKPVKAJUZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-18-11-12-3-5-13(6-4-12)14(17)15-7-10-19-9-2-8-16/h3-6,16H,2,7-11H2,1H3,(H,15,17).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 283.39 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 103767369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).