2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C21H25FN2O4S — CID 1073046

IUPAC2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H25FN2O4S/c1-16-4-10-20(11-5-16)29(26,27)24(14-17-6-8-18(22)9-7-17)15-21(25)23-13-19-3-2-12-28-19/h4-11,19H,2-3,12-15H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyFHBJHOZBOYOSAP-IBGZPJMESA-N
MW420.51 g/mol
LogP2.62
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 1073046) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID1073046
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H25FN2O4S/c1-16-4-10-20(11-5-16)29(26,27)24(14-17-6-8-18(22)9-7-17)15-21(25)23-13-19-3-2-12-28-19/h4-11,19H,2-3,12-15H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyFHBJHOZBOYOSAP-IBGZPJMESA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1166795
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40565110
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1266008
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1307765
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1327879
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1357592
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1119935
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1276393
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113139302
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 126210808

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 1073046) is 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is FHBJHOZBOYOSAP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-16-4-10-20(11-5-16)29(26,27)24(14-17-6-8-18(22)9-7-17)15-21(25)23-13-19-3-2-12-28-19/h4-11,19H,2-3,12-15H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1073046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).