N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C20H24N4O7S — CID 24548452

IUPACN-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)CNC(=O)c1ccco1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N4O7S/c25-18(13-22-19(26)14-23-20(27)17-2-1-9-31-17)21-12-15-3-5-16(6-4-15)32(28,29)24-7-10-30-11-8-24/h1-6,9H,7-8,10-14H2,(H,21,25)(H,22,26)(H,23,27)
InChIKeyHLOGONBUAXXYJI-UHFFFAOYSA-N
MW464.50 g/mol
LogP-0.54
Rot. Bonds9

About N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24548452) has the molecular formula C20H24N4O7S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID24548452
Molecular FormulaC20H24N4O7S
Molecular Weight464.50 g/mol
Exact Mass464.14
IUPAC NameN-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)CNC(=O)c1ccco1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N4O7S/c25-18(13-22-19(26)14-23-20(27)17-2-1-9-31-17)21-12-15-3-5-16(6-4-15)32(28,29)24-7-10-30-11-8-24/h1-6,9H,7-8,10-14H2,(H,21,25)(H,22,26)(H,23,27)
InChIKeyHLOGONBUAXXYJI-UHFFFAOYSA-N
XLogP-0.54
TPSA147.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 24548452) is N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)CNC(=O)c1ccco1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is HLOGONBUAXXYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O7S/c25-18(13-22-19(26)14-23-20(27)17-2-1-9-31-17)21-12-15-3-5-16(6-4-15)32(28,29)24-7-10-30-11-8-24/h1-6,9H,7-8,10-14H2,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 464.50 g/mol, XLogP of -0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24548452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).