5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide

C13H18ClNO3S — CID 103767358

IUPAC5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCSCCCO
InChIInChI=1S/C13H18ClNO3S/c1-18-12-4-3-10(14)9-11(12)13(17)15-5-8-19-7-2-6-16/h3-4,9,16H,2,5-8H2,1H3,(H,15,17)
InChIKeyDNCPODFTRBOFLM-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.19
Rot. Bonds8

About 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide (PubChem CID 103767358) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide
PubChem CID103767358
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCSCCCO
InChIInChI=1S/C13H18ClNO3S/c1-18-12-4-3-10(14)9-11(12)13(17)15-5-8-19-7-2-6-16/h3-4,9,16H,2,5-8H2,1H3,(H,15,17)
InChIKeyDNCPODFTRBOFLM-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.19
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

5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-iodobenzamide
CID 103767292
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103800898
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
2-[2-[(4-chloro-2-methoxybenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242206
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide (CID 103767358) is 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCSCCCO.
What is the InChIKey of 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide?
The InChIKey is DNCPODFTRBOFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-18-12-4-3-10(14)9-11(12)13(17)15-5-8-19-7-2-6-16/h3-4,9,16H,2,5-8H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide has a molecular weight of 303.81 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 103767358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).