N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C21H25ClN2O5S2 — CID 28591075

IUPACN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSCc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O5S2/c1-28-20-6-5-18(31(26,27)24-8-10-29-11-9-24)14-19(20)21(25)23-7-12-30-15-16-3-2-4-17(22)13-16/h2-6,13-14H,7-12,15H2,1H3,(H,23,25)
InChIKeyLEQHZBRXSWPDDV-UHFFFAOYSA-N
MW485.03 g/mol
LogP3.03
Rot. Bonds9

About N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 28591075) has the molecular formula C21H25ClN2O5S2 and a molecular weight of 485.03 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID28591075
Molecular FormulaC21H25ClN2O5S2
Molecular Weight485.03 g/mol
Exact Mass484.09
IUPAC NameN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSCc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O5S2/c1-28-20-6-5-18(31(26,27)24-8-10-29-11-9-24)14-19(20)21(25)23-7-12-30-15-16-3-2-4-17(22)13-16/h2-6,13-14H,7-12,15H2,1H3,(H,23,25)
InChIKeyLEQHZBRXSWPDDV-UHFFFAOYSA-N
XLogP3.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide 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

2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28590998
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55586581
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
5-(azepan-1-ylsulfonyl)-N-(2-benzylsulfanylethyl)-2-methylbenzamide
CID 28590329
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 28591075) is N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LEQHZBRXSWPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S2/c1-28-20-6-5-18(31(26,27)24-8-10-29-11-9-24)14-19(20)21(25)23-7-12-30-15-16-3-2-4-17(22)13-16/h2-6,13-14H,7-12,15H2,1H3,(H,23,25).
What are the key properties of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 485.03 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 28591075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).