N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide

C22H21FN2O4S — CID 39984976

IUPACN-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O4S/c23-20-5-1-2-6-21(20)30(27,28)25(15-19-4-3-13-29-19)14-16-7-9-17(10-8-16)22(26)24-18-11-12-18/h1-10,13,18H,11-12,14-15H2,(H,24,26)
InChIKeyQESNYFNHJLZKSI-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.70
Rot. Bonds8

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

N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 39984976) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID39984976
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O4S/c23-20-5-1-2-6-21(20)30(27,28)25(15-19-4-3-13-29-19)14-16-7-9-17(10-8-16)22(26)24-18-11-12-18/h1-10,13,18H,11-12,14-15H2,(H,24,26)
InChIKeyQESNYFNHJLZKSI-UHFFFAOYSA-N
XLogP3.70
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679300
N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679289
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[(4-butan-2-ylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 24679296
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
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
2-[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylacetamide
CID 32888554
N-cyclopropyl-4-[[[2-(2,4-difluoroanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34943334
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide (CID 39984976) is N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is QESNYFNHJLZKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c23-20-5-1-2-6-21(20)30(27,28)25(15-19-4-3-13-29-19)14-16-7-9-17(10-8-16)22(26)24-18-11-12-18/h1-10,13,18H,11-12,14-15H2,(H,24,26).
What are the key properties of N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 39984976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).