2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide

C24H29F3N4O5S — CID 24982484

IUPAC2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H29F3N4O5S/c25-24(26,27)17-3-5-18(6-4-17)30-23(32)16-29-22-14-20(37(33,34)31-9-12-35-13-10-31)7-8-21(22)28-15-19-2-1-11-36-19/h3-8,14,19,28-29H,1-2,9-13,15-16H2,(H,30,32)
InChIKeyDQSSOFJHFPOTQG-UHFFFAOYSA-N
MW542.58 g/mol
LogP3.37
Rot. Bonds9

About 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 24982484) has the molecular formula C24H29F3N4O5S and a molecular weight of 542.58 g/mol. Its IUPAC name is 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID24982484
Molecular FormulaC24H29F3N4O5S
Molecular Weight542.58 g/mol
Exact Mass542.18
IUPAC Name2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H29F3N4O5S/c25-24(26,27)17-3-5-18(6-4-17)30-23(32)16-29-22-14-20(37(33,34)31-9-12-35-13-10-31)7-8-21(22)28-15-19-2-1-11-36-19/h3-8,14,19,28-29H,1-2,9-13,15-16H2,(H,30,32)
InChIKeyDQSSOFJHFPOTQG-UHFFFAOYSA-N
XLogP3.37
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.58
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 24982484) is 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DQSSOFJHFPOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O5S/c25-24(26,27)17-3-5-18(6-4-17)30-23(32)16-29-22-14-20(37(33,34)31-9-12-35-13-10-31)7-8-21(22)28-15-19-2-1-11-36-19/h3-8,14,19,28-29H,1-2,9-13,15-16H2,(H,30,32).
What are the key properties of 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 542.58 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24982484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).