N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

C26H30N2O4S — CID 30257661

IUPACN,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C26H30N2O4S/c1-21(2)32-25-16-14-24(15-17-25)28(33(3,30)31)20-26(29)27(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-17,21H,18-20H2,1-3H3
InChIKeyMTGJIZFLGKVNFH-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.47
Rot. Bonds10

About N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (PubChem CID 30257661) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
PubChem CID30257661
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C26H30N2O4S/c1-21(2)32-25-16-14-24(15-17-25)28(33(3,30)31)20-26(29)27(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-17,21H,18-20H2,1-3H3
InChIKeyMTGJIZFLGKVNFH-UHFFFAOYSA-N
XLogP4.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-N-hydroxy-2-(phenylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24806175
(S)-N-hydroxy-2-((S)-1-phenylethylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24951953
(S)-2-(cis-2,6-dimethylmorpholino)-N-hydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24954798
(S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24956229
(S)-2-(3-fluorophenylamino)-N-hydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 44447344
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
N-(4-Ethoxyphenyl)-N-({N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)methanesulfonamide
CID 9668628
N-(2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 846406
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 863795
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (CID 30257661) is N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The InChIKey is MTGJIZFLGKVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-21(2)32-25-16-14-24(15-17-25)28(33(3,30)31)20-26(29)27(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-17,21H,18-20H2,1-3H3.
What are the key properties of N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 30257661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).