N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide

C24H34ClNO4S — CID 10183534

IUPACN-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCCS(=O)CCCO)ccc1Cl
InChIInChI=1S/C24H34ClNO4S/c25-22-4-3-20(30-6-2-8-31(29)7-1-5-27)12-21(22)23(28)26-16-24-13-17-9-18(14-24)11-19(10-17)15-24/h3-4,12,17-19,27H,1-2,5-11,13-16H2,(H,26,28)
InChIKeyDTZXUPTXDJJGSA-UHFFFAOYSA-N
MW468.06 g/mol
LogP4.19
Rot. Bonds11

About N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide

N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide (PubChem CID 10183534) has the molecular formula C24H34ClNO4S and a molecular weight of 468.06 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide
PubChem CID10183534
Molecular FormulaC24H34ClNO4S
Molecular Weight468.06 g/mol
Exact Mass467.19
IUPAC NameN-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCCS(=O)CCCO)ccc1Cl
InChIInChI=1S/C24H34ClNO4S/c25-22-4-3-20(30-6-2-8-31(29)7-1-5-27)12-21(22)23(28)26-16-24-13-17-9-18(14-24)11-19(10-17)15-24/h3-4,12,17-19,27H,1-2,5-11,13-16H2,(H,26,28)
InChIKeyDTZXUPTXDJJGSA-UHFFFAOYSA-N
XLogP4.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.06
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide
CID 20670038
N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide
CID 18336920
N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfanyl)ethoxy]-2-chlorobenzamide;hydrochloride
CID 10276272
N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfonyl)ethoxy]-2-chlorobenzamide
CID 10228276
N-(1-adamantylmethyl)-5-[2-(2-aminoethylsulfonyl)ethoxy]-2-chlorobenzamide;hydrochloride
CID 10228275
N-(1-bicyclo[3.3.1]nonanylmethyl)-2-chloro-5-[2-(3-hydroxypropylsulfonyl)ethoxy]benzamide
CID 87612647
N-(1-adamantylmethyl)-2-chloro-5-[(1R)-1-hydroxy-2-(3-hydroxypropylamino)ethyl]benzamide
CID 21107382
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
CID 20670042
N-(1-adamantylmethyl)-2-chloro-5-[3-(prop-2-enylamino)propyl]benzamide
CID 10222654
N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 7921336
N-(1-adamantylmethyl)-2-chloro-5-[(3S)-3,4-dihydroxybutyl]benzamide
CID 69483573

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide (CID 10183534) is N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCCS(=O)CCCO)ccc1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide?
The InChIKey is DTZXUPTXDJJGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClNO4S/c25-22-4-3-20(30-6-2-8-31(29)7-1-5-27)12-21(22)23(28)26-16-24-13-17-9-18(14-24)11-19(10-17)15-24/h3-4,12,17-19,27H,1-2,5-11,13-16H2,(H,26,28).
What are the key properties of N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide?
N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide has a molecular weight of 468.06 g/mol, XLogP of 4.19, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylsulfinyl)propoxy]benzamide is sourced from PubChem (CID 10183534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).