N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

C30H29ClN2O4S — CID 126386552

IUPACN,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESC[C@H](NS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C30H29ClN2O4S/c1-23(26-15-9-4-10-16-26)32-38(35,36)27-17-18-29(28(31)19-27)37-22-30(34)33(20-24-11-5-2-6-12-24)21-25-13-7-3-8-14-25/h2-19,23,32H,20-22H2,1H3/t23-/m0/s1
InChIKeyJKQPKJPOIKLQCJ-QHCPKHFHSA-N
MW549.09 g/mol
LogP5.99
Rot. Bonds11

About N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 126386552) has the molecular formula C30H29ClN2O4S and a molecular weight of 549.09 g/mol. Its IUPAC name is N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID126386552
Molecular FormulaC30H29ClN2O4S
Molecular Weight549.09 g/mol
Exact Mass548.15
IUPAC NameN,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESC[C@H](NS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C30H29ClN2O4S/c1-23(26-15-9-4-10-16-26)32-38(35,36)27-17-18-29(28(31)19-27)37-22-30(34)33(20-24-11-5-2-6-12-24)21-25-13-7-3-8-14-25/h2-19,23,32H,20-22H2,1H3/t23-/m0/s1
InChIKeyJKQPKJPOIKLQCJ-QHCPKHFHSA-N
XLogP5.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.09
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 2981487
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126383679
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 4276516
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
(2S)-N,N-dibenzyl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94862990
N,N-dibenzyl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43889202
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 126386552) is N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1)c1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is JKQPKJPOIKLQCJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H29ClN2O4S/c1-23(26-15-9-4-10-16-26)32-38(35,36)27-17-18-29(28(31)19-27)37-22-30(34)33(20-24-11-5-2-6-12-24)21-25-13-7-3-8-14-25/h2-19,23,32H,20-22H2,1H3/t23-/m0/s1.
What are the key properties of N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 549.09 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126386552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).