N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide

C22H20Cl2N2O4S — CID 24679300

IUPACN-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c23-17-10-18(24)12-21(11-17)31(28,29)26(14-20-2-1-9-30-20)13-15-3-5-16(6-4-15)22(27)25-19-7-8-19/h1-6,9-12,19H,7-8,13-14H2,(H,25,27)
InChIKeyDNKSNFFMOXBSKF-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.87
Rot. Bonds8

About N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide

N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 24679300) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID24679300
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC NameN-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c23-17-10-18(24)12-21(11-17)31(28,29)26(14-20-2-1-9-30-20)13-15-3-5-16(6-4-15)22(27)25-19-7-8-19/h1-6,9-12,19H,7-8,13-14H2,(H,25,27)
InChIKeyDNKSNFFMOXBSKF-UHFFFAOYSA-N
XLogP4.87
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.87
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-[[(3,4-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-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 24679296
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 4793403
4-[[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 55557552
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112818770
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
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-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (CID 24679300) is N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is DNKSNFFMOXBSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c23-17-10-18(24)12-21(11-17)31(28,29)26(14-20-2-1-9-30-20)13-15-3-5-16(6-4-15)22(27)25-19-7-8-19/h1-6,9-12,19H,7-8,13-14H2,(H,25,27).
What are the key properties of N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 479.39 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 24679300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).