N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide

C24H26N2O4S — CID 24679289

IUPACN-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1C
InChIInChI=1S/C24H26N2O4S/c1-17-5-12-23(14-18(17)2)31(28,29)26(16-22-4-3-13-30-22)15-19-6-8-20(9-7-19)24(27)25-21-10-11-21/h3-9,12-14,21H,10-11,15-16H2,1-2H3,(H,25,27)
InChIKeyZEFRSTLHCUSJCA-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.18
Rot. Bonds8

About N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide

N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 24679289) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID24679289
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1C
InChIInChI=1S/C24H26N2O4S/c1-17-5-12-23(14-18(17)2)31(28,29)26(16-22-4-3-13-30-22)15-19-6-8-20(9-7-19)24(27)25-21-10-11-21/h3-9,12-14,21H,10-11,15-16H2,1-2H3,(H,25,27)
InChIKeyZEFRSTLHCUSJCA-UHFFFAOYSA-N
XLogP4.18
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679312
N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679300
N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679324
4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 24679296
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 39984976
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 4793403
N-cyclopropyl-4-[[[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (CID 24679289) is N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1C.
What is the InChIKey of N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is ZEFRSTLHCUSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-5-12-23(14-18(17)2)31(28,29)26(16-22-4-3-13-30-22)15-19-6-8-20(9-7-19)24(27)25-21-10-11-21/h3-9,12-14,21H,10-11,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 24679289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).