N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide

C15H23NO3S — CID 103767620

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCSCCCO)c1
InChIInChI=1S/C15H23NO3S/c1-2-9-19-14-6-3-5-13(12-14)15(18)16-7-11-20-10-4-8-17/h3,5-6,12,17H,2,4,7-11H2,1H3,(H,16,18)
InChIKeyCBTDGXPXBMMDCY-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.32
Rot. Bonds10

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide (PubChem CID 103767620) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
PubChem CID103767620
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCSCCCO)c1
InChIInChI=1S/C15H23NO3S/c1-2-9-19-14-6-3-5-13(12-14)15(18)16-7-11-20-10-4-8-17/h3,5-6,12,17H,2,4,7-11H2,1H3,(H,16,18)
InChIKeyCBTDGXPXBMMDCY-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.32
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

3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708
3-[3-(3-hydroxypropylsulfanyl)propoxy]benzoic acid
CID 66127273
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide (CID 103767620) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCCSCCCO)c1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide?
The InChIKey is CBTDGXPXBMMDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-9-19-14-6-3-5-13(12-14)15(18)16-7-11-20-10-4-8-17/h3,5-6,12,17H,2,4,7-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide has a molecular weight of 297.42 g/mol, XLogP of 2.32, 10 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]-3-propoxybenzamide is sourced from PubChem (CID 103767620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).