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

C24H26N2O6S — CID 24679312

IUPACN-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1OC
InChIInChI=1S/C24H26N2O6S/c1-30-22-12-11-21(14-23(22)31-2)33(28,29)26(16-20-4-3-13-32-20)15-17-5-7-18(8-6-17)24(27)25-19-9-10-19/h3-8,11-14,19H,9-10,15-16H2,1-2H3,(H,25,27)
InChIKeyUORHHSIIWFPJES-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.58
Rot. Bonds10

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

N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 24679312) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID24679312
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC NameN-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1OC
InChIInChI=1S/C24H26N2O6S/c1-30-22-12-11-21(14-23(22)31-2)33(28,29)26(16-20-4-3-13-32-20)15-17-5-7-18(8-6-17)24(27)25-19-9-10-19/h3-8,11-14,19H,9-10,15-16H2,1-2H3,(H,25,27)
InChIKeyUORHHSIIWFPJES-UHFFFAOYSA-N
XLogP3.58
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679289
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-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 39984976
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1294119
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 2002479
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (CID 24679312) is N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1OC.
What is the InChIKey of N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is UORHHSIIWFPJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-30-22-12-11-21(14-23(22)31-2)33(28,29)26(16-20-4-3-13-32-20)15-17-5-7-18(8-6-17)24(27)25-19-9-10-19/h3-8,11-14,19H,9-10,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 470.55 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 24679312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).