N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide

C25H29N3O5S — CID 55638477

IUPACN-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C25H29N3O5S/c1-25(2,3)19-9-11-21(12-10-19)34(31,32)27-14-13-23(29)26-17-18-6-4-7-20(16-18)28-24(30)22-8-5-15-33-22/h4-12,15-16,27H,13-14,17H2,1-3H3,(H,26,29)(H,28,30)
InChIKeyNQBZUWCKOXYYCW-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.81
Rot. Bonds9

About N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide

N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 55638477) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID55638477
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C25H29N3O5S/c1-25(2,3)19-9-11-21(12-10-19)34(31,32)27-14-13-23(29)26-17-18-6-4-7-20(16-18)28-24(30)22-8-5-15-33-22/h4-12,15-16,27H,13-14,17H2,1-3H3,(H,26,29)(H,28,30)
InChIKeyNQBZUWCKOXYYCW-UHFFFAOYSA-N
XLogP3.81
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 33021299
3-[(4-tert-butylphenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55867467
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254
N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide
CID 39228981
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 33024025
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 24536886
N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
CID 55947108
N-[3-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 55899785
4-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636112

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide (CID 55638477) is N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is NQBZUWCKOXYYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-25(2,3)19-9-11-21(12-10-19)34(31,32)27-14-13-23(29)26-17-18-6-4-7-20(16-18)28-24(30)22-8-5-15-33-22/h4-12,15-16,27H,13-14,17H2,1-3H3,(H,26,29)(H,28,30).
What are the key properties of N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55638477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).