3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide

C22H29N3O6S — CID 55519754

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O6S/c1-16-3-8-21(31-16)20(25-11-13-30-14-12-25)15-23-22(27)9-10-24-32(28,29)19-6-4-18(5-7-19)17(2)26/h3-8,20,24H,9-15H2,1-2H3,(H,23,27)
InChIKeyPIQJAEKVRLGICZ-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.65
Rot. Bonds10

About 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 55519754) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
PubChem CID55519754
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O6S/c1-16-3-8-21(31-16)20(25-11-13-30-14-12-25)15-23-22(27)9-10-24-32(28,29)19-6-4-18(5-7-19)17(2)26/h3-8,20,24H,9-15H2,1-2H3,(H,23,27)
InChIKeyPIQJAEKVRLGICZ-UHFFFAOYSA-N
XLogP1.65
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(methanesulfonamido)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 118763137
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677
4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 24643824
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 32707883
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 25163879
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
CID 134056195
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 24643835

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide (CID 55519754) is 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is PIQJAEKVRLGICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-16-3-8-21(31-16)20(25-11-13-30-14-12-25)15-23-22(27)9-10-24-32(28,29)19-6-4-18(5-7-19)17(2)26/h3-8,20,24H,9-15H2,1-2H3,(H,23,27).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 463.56 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 55519754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).