methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate

C17H19NO4S — CID 131721881

IUPACmethyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-18(23(20,21)13-17(19)22-2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyQPFSVWDQJPUGKK-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.29
Rot. Bonds6

About methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate

methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate (PubChem CID 131721881) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate
PubChem CID131721881
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namemethyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-18(23(20,21)13-17(19)22-2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyQPFSVWDQJPUGKK-UHFFFAOYSA-N
XLogP2.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(biphenyl-4-ylmethyl-methyl-sulfamoyl)-N-hydroxy-acetamide
CID 9949549
1-(Benzylsulfonyl)-4-(4-ethylbenzyl)piperazine oxalate
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N-methyl-N-[(4-phenylphenyl)methyl]methanesulfonamide
CID 47183712
Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate
CID 300198
2-(N-benzyl2-phenylethenesulfonamido)acetic acid
CID 2392892
methyl 2-[[4-[4-phenyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate
CID 18379556
methyl 2-[[4-(3-fluoro-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate
CID 18379566
methyl 2-[[4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate
CID 18379594
methyl 2-[[4-[4-(2-fluorophenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate
CID 18379647
methyl 3-[(3-benzyl-8-fluoroisoquinolin-2(1H)-yl)sulfonyl]propanoate
CID 59323043
methyl 3-[[2-fluoro-6-[(E)-3-phenylprop-2-enyl]phenyl]methylsulfamoyl]propanoate
CID 59323080
methyl 3-[(3-benzyl-8-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl]propanoate
CID 59323090

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate?
The IUPAC name of methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate (CID 131721881) is methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate?
The canonical SMILES for methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate is COC(=O)CS(=O)(=O)N(C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate?
The InChIKey is QPFSVWDQJPUGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-18(23(20,21)13-17(19)22-2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate?
methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate has a molecular weight of 333.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate is sourced from PubChem (CID 131721881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).