3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide

C19H28N4O6S — CID 3649053

IUPAC3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C19H28N4O6S/c1-15(24)20-5-4-19(25)21-17-14-16(30(26,27)23-8-12-29-13-9-23)2-3-18(17)22-6-10-28-11-7-22/h2-3,14H,4-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyKHSSKVTYFNTBKJ-UHFFFAOYSA-N
MW440.52 g/mol
LogP0.01
Rot. Bonds7

About 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide

3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 3649053) has the molecular formula C19H28N4O6S and a molecular weight of 440.52 g/mol. Its IUPAC name is 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID3649053
Molecular FormulaC19H28N4O6S
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Name3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C19H28N4O6S/c1-15(24)20-5-4-19(25)21-17-14-16(30(26,27)23-8-12-29-13-9-23)2-3-18(17)22-6-10-28-11-7-22/h2-3,14H,4-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyKHSSKVTYFNTBKJ-UHFFFAOYSA-N
XLogP0.01
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 3649053) is 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide is CC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is KHSSKVTYFNTBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O6S/c1-15(24)20-5-4-19(25)21-17-14-16(30(26,27)23-8-12-29-13-9-23)2-3-18(17)22-6-10-28-11-7-22/h2-3,14H,4-13H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 440.52 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 3649053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).