3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide

C24H26N2O4S — CID 55463115

IUPAC3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCc3ccc(C4CC4C)o3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-16-3-11-21(12-4-16)31(28,29)26-19-7-5-18(6-8-19)25-24(27)14-10-20-9-13-23(30-20)22-15-17(22)2/h3-9,11-13,17,22,26H,10,14-15H2,1-2H3,(H,25,27)
InChIKeyGNABZVIZTQPRBY-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.08
Rot. Bonds8

About 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide

3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide (PubChem CID 55463115) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
PubChem CID55463115
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCc3ccc(C4CC4C)o3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-16-3-11-21(12-4-16)31(28,29)26-19-7-5-18(6-8-19)25-24(27)14-10-20-9-13-23(30-20)22-15-17(22)2/h3-9,11-13,17,22,26H,10,14-15H2,1-2H3,(H,25,27)
InChIKeyGNABZVIZTQPRBY-UHFFFAOYSA-N
XLogP5.08
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94502622
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide
CID 81343521
4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
CID 55346127

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide (CID 55463115) is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCc3ccc(C4CC4C)o3)cc2)cc1.
What is the InChIKey of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is GNABZVIZTQPRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-16-3-11-21(12-4-16)31(28,29)26-19-7-5-18(6-8-19)25-24(27)14-10-20-9-13-23(30-20)22-15-17(22)2/h3-9,11-13,17,22,26H,10,14-15H2,1-2H3,(H,25,27).
What are the key properties of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 438.55 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 55463115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).