methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate

C21H20ClNO5S — CID 2695484

IUPACmethyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C21H20ClNO5S/c1-15-7-10-18(11-8-15)29(25,26)23(13-16-5-3-4-6-19(16)22)14-17-9-12-20(28-17)21(24)27-2/h3-12H,13-14H2,1-2H3
InChIKeyPRHUKJOLTARJJA-UHFFFAOYSA-N
MW433.91 g/mol
LogP4.42
Rot. Bonds7

About methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate

methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate (PubChem CID 2695484) has the molecular formula C21H20ClNO5S and a molecular weight of 433.91 g/mol. Its IUPAC name is methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate
PubChem CID2695484
Molecular FormulaC21H20ClNO5S
Molecular Weight433.91 g/mol
Exact Mass433.08
IUPAC Namemethyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C21H20ClNO5S/c1-15-7-10-18(11-8-15)29(25,26)23(13-16-5-3-4-6-19(16)22)14-17-9-12-20(28-17)21(24)27-2/h3-12H,13-14H2,1-2H3
InChIKeyPRHUKJOLTARJJA-UHFFFAOYSA-N
XLogP4.42
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 126069396
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069248
N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1320309
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083141
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 126070154
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793679
methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
CID 2671799
methyl (4E)-1-benzyl-4-[[5-[[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 126019410
N-(3-chloro-4-methylphenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069656
methyl (2R)-4-[2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 100793706
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28545519

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate (CID 2695484) is methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)o1.
What is the InChIKey of methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate?
The InChIKey is PRHUKJOLTARJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO5S/c1-15-7-10-18(11-8-15)29(25,26)23(13-16-5-3-4-6-19(16)22)14-17-9-12-20(28-17)21(24)27-2/h3-12H,13-14H2,1-2H3.
What are the key properties of methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate?
methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate has a molecular weight of 433.91 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 2695484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).