2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C20H28ClN3O6S — CID 3207099

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H28ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h5-8,16-17,23H,1-4,9-14H2,(H,22,25)
InChIKeyDAHYNHJEPAGJJP-UHFFFAOYSA-N
MW473.98 g/mol
LogP0.92
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3207099) has the molecular formula C20H28ClN3O6S and a molecular weight of 473.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3207099
Molecular FormulaC20H28ClN3O6S
Molecular Weight473.98 g/mol
Exact Mass473.14
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H28ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h5-8,16-17,23H,1-4,9-14H2,(H,22,25)
InChIKeyDAHYNHJEPAGJJP-UHFFFAOYSA-N
XLogP0.92
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3207099) is 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is DAHYNHJEPAGJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h5-8,16-17,23H,1-4,9-14H2,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 473.98 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3207099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).