4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide

C26H30N2O4S — CID 24679296

IUPAC4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1
InChIInChI=1S/C26H30N2O4S/c1-3-19(2)21-10-14-25(15-11-21)33(30,31)28(18-24-5-4-16-32-24)17-20-6-8-22(9-7-20)26(29)27-23-12-13-23/h4-11,14-16,19,23H,3,12-13,17-18H2,1-2H3,(H,27,29)
InChIKeyBYCODKONFLIPBY-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.08
Rot. Bonds10

About 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide

4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide (PubChem CID 24679296) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
PubChem CID24679296
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1
InChIInChI=1S/C26H30N2O4S/c1-3-19(2)21-10-14-25(15-11-21)33(30,31)28(18-24-5-4-16-32-24)17-20-6-8-22(9-7-20)26(29)27-23-12-13-23/h4-11,14-16,19,23H,3,12-13,17-18H2,1-2H3,(H,27,29)
InChIKeyBYCODKONFLIPBY-UHFFFAOYSA-N
XLogP5.08
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679312
N-cyclopropyl-4-[[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679324
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-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide (CID 24679296) is 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide is CCC(C)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1.
What is the InChIKey of 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The InChIKey is BYCODKONFLIPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-3-19(2)21-10-14-25(15-11-21)33(30,31)28(18-24-5-4-16-32-24)17-20-6-8-22(9-7-20)26(29)27-23-12-13-23/h4-11,14-16,19,23H,3,12-13,17-18H2,1-2H3,(H,27,29).
What are the key properties of 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide has a molecular weight of 466.60 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 24679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).