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

C21H33N5O6S — CID 55365420

IUPAC2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C21H33N5O6S/c1-2-7-22-21(28)25-20(27)15-24-19-13-17(33(29,30)26-8-11-31-12-9-26)5-6-18(19)23-14-16-4-3-10-32-16/h5-6,13,16,23-24H,2-4,7-12,14-15H2,1H3,(H2,22,25,27,28)
InChIKeyIJEBUGIFEIUJCB-UHFFFAOYSA-N
MW483.59 g/mol
LogP0.95
Rot. Bonds10

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

2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide (PubChem CID 55365420) has the molecular formula C21H33N5O6S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide
PubChem CID55365420
Molecular FormulaC21H33N5O6S
Molecular Weight483.59 g/mol
Exact Mass483.22
IUPAC Name2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C21H33N5O6S/c1-2-7-22-21(28)25-20(27)15-24-19-13-17(33(29,30)26-8-11-31-12-9-26)5-6-18(19)23-14-16-4-3-10-32-16/h5-6,13,16,23-24H,2-4,7-12,14-15H2,1H3,(H2,22,25,27,28)
InChIKeyIJEBUGIFEIUJCB-UHFFFAOYSA-N
XLogP0.95
TPSA138.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896
N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55437130
2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide
CID 41328158
1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
CID 25415439
4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 55761995
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
CID 25347481
1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845

Frequently Asked Questions

What is the IUPAC name of 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide (CID 55365420) is 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1.
What is the InChIKey of 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide?
The InChIKey is IJEBUGIFEIUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O6S/c1-2-7-22-21(28)25-20(27)15-24-19-13-17(33(29,30)26-8-11-31-12-9-26)5-6-18(19)23-14-16-4-3-10-32-16/h5-6,13,16,23-24H,2-4,7-12,14-15H2,1H3,(H2,22,25,27,28).
What are the key properties of 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide?
2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide has a molecular weight of 483.59 g/mol, XLogP of 0.95, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 55365420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).