2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide

C15H22ClN3O4S — CID 2419857

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O4S/c1-18(24(21,22)14-4-2-13(16)3-5-14)12-15(20)17-6-7-19-8-10-23-11-9-19/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyNTBSBACXVOPSOT-UHFFFAOYSA-N
MW375.88 g/mol
LogP0.41
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 2419857) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID2419857
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O4S/c1-18(24(21,22)14-4-2-13(16)3-5-14)12-15(20)17-6-7-19-8-10-23-11-9-19/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyNTBSBACXVOPSOT-UHFFFAOYSA-N
XLogP0.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 2419857) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide is CN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is NTBSBACXVOPSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c1-18(24(21,22)14-4-2-13(16)3-5-14)12-15(20)17-6-7-19-8-10-23-11-9-19/h2-5H,6-12H2,1H3,(H,17,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 375.88 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 2419857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).