2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

C22H28ClN3O5S — CID 4832932

IUPAC2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H28ClN3O5S/c1-30-14-2-11-26(32(28,29)21-9-3-18(23)4-10-21)17-22(27)24-19-5-7-20(8-6-19)25-12-15-31-16-13-25/h3-10H,2,11-17H2,1H3,(H,24,27)
InChIKeyIXDXQOCYYJZUNK-UHFFFAOYSA-N
MW482.00 g/mol
LogP2.84
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4832932) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4832932
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H28ClN3O5S/c1-30-14-2-11-26(32(28,29)21-9-3-18(23)4-10-21)17-22(27)24-19-5-7-20(8-6-19)25-12-15-31-16-13-25/h3-10H,2,11-17H2,1H3,(H,24,27)
InChIKeyIXDXQOCYYJZUNK-UHFFFAOYSA-N
XLogP2.84
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 4832932) is 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is COCCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is IXDXQOCYYJZUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-30-14-2-11-26(32(28,29)21-9-3-18(23)4-10-21)17-22(27)24-19-5-7-20(8-6-19)25-12-15-31-16-13-25/h3-10H,2,11-17H2,1H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 482.00 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4832932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).