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

C21H27N3O6S — CID 31494184

IUPAC3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccco1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C21H27N3O6S/c25-21(6-3-17-2-1-11-30-17)22-19-16-18(31(26,27)24-9-14-29-15-10-24)4-5-20(19)23-7-12-28-13-8-23/h1-2,4-5,11,16H,3,6-10,12-15H2,(H,22,25)
InChIKeyOBDGBFDWXHCOFX-UHFFFAOYSA-N
MW449.53 g/mol
LogP1.71
Rot. Bonds7

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

3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 31494184) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID31494184
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccco1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C21H27N3O6S/c25-21(6-3-17-2-1-11-30-17)22-19-16-18(31(26,27)24-9-14-29-15-10-24)4-5-20(19)23-7-12-28-13-8-23/h1-2,4-5,11,16H,3,6-10,12-15H2,(H,22,25)
InChIKeyOBDGBFDWXHCOFX-UHFFFAOYSA-N
XLogP1.71
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
3-(furan-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26524387
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)acetamide
CID 4849659
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
CID 33297922
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41214377

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 31494184) is 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccco1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is OBDGBFDWXHCOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c25-21(6-3-17-2-1-11-30-17)22-19-16-18(31(26,27)24-9-14-29-15-10-24)4-5-20(19)23-7-12-28-13-8-23/h1-2,4-5,11,16H,3,6-10,12-15H2,(H,22,25).
What are the key properties of 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 449.53 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 31494184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).