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

C14H20N2O3S — CID 103767468

IUPAC4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCSCCCO)cc1
InChIInChI=1S/C14H20N2O3S/c1-11(18)16-13-5-3-12(4-6-13)14(19)15-7-10-20-9-2-8-17/h3-6,17H,2,7-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyMEQRWJKPPSRNHR-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.49
Rot. Bonds8

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

4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide (PubChem CID 103767468) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
PubChem CID103767468
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCSCCCO)cc1
InChIInChI=1S/C14H20N2O3S/c1-11(18)16-13-5-3-12(4-6-13)14(19)15-7-10-20-9-2-8-17/h3-6,17H,2,7-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyMEQRWJKPPSRNHR-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 103767369
4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 71850129
3-[(4-acetamidobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174171
3,5-difluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767454
3-chloro-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800743
4-bromo-3-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800654
3-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-iodobenzamide
CID 103800850
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 103767403
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methoxy-4-nitrobenzamide
CID 103800936
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 103800655

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide (CID 103767468) is 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCSCCCO)cc1.
What is the InChIKey of 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The InChIKey is MEQRWJKPPSRNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(18)16-13-5-3-12(4-6-13)14(19)15-7-10-20-9-2-8-17/h3-6,17H,2,7-10H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide has a molecular weight of 296.39 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 103767468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).