benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate

C24H24N2O5S — CID 4017007

IUPACbenzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-18-12-14-21(15-13-18)32(29,30)26-16-22(27)25-17-23(28)31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24,26H,16-17H2,1H3,(H,25,27)
InChIKeyKYFUOEIOFLBMRJ-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.72
Rot. Bonds9

About benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate

benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate (PubChem CID 4017007) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
PubChem CID4017007
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Namebenzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-18-12-14-21(15-13-18)32(29,30)26-16-22(27)25-17-23(28)31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24,26H,16-17H2,1H3,(H,25,27)
InChIKeyKYFUOEIOFLBMRJ-UHFFFAOYSA-N
XLogP2.72
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061289
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331100
[(1R)-2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331010
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41330698
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 8643953
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55317040
(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061287
N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9155582
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061234
N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24544760

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The IUPAC name of benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate (CID 4017007) is benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate.
What is the SMILES notation for benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The canonical SMILES for benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The InChIKey is KYFUOEIOFLBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-18-12-14-21(15-13-18)32(29,30)26-16-22(27)25-17-23(28)31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24,26H,16-17H2,1H3,(H,25,27).
What are the key properties of benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate has a molecular weight of 452.53 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate is sourced from PubChem (CID 4017007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).