N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

C29H26Cl2N2O3S — CID 43891681

IUPACN,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C29H26Cl2N2O3S/c1-22-12-14-28(15-13-22)37(35,36)33(27-17-25(30)16-26(31)18-27)21-29(34)32(19-23-8-4-2-5-9-23)20-24-10-6-3-7-11-24/h2-18H,19-21H2,1H3
InChIKeyITRDCFMBOAUJQK-UHFFFAOYSA-N
MW553.51 g/mol
LogP6.73
Rot. Bonds9

About N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43891681) has the molecular formula C29H26Cl2N2O3S and a molecular weight of 553.51 g/mol. Its IUPAC name is N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43891681
Molecular FormulaC29H26Cl2N2O3S
Molecular Weight553.51 g/mol
Exact Mass552.10
IUPAC NameN,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C29H26Cl2N2O3S/c1-22-12-14-28(15-13-22)37(35,36)33(27-17-25(30)16-26(31)18-27)21-29(34)32(19-23-8-4-2-5-9-23)20-24-10-6-3-7-11-24/h2-18H,19-21H2,1H3
InChIKeyITRDCFMBOAUJQK-UHFFFAOYSA-N
XLogP6.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[benzyl-[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100563062
(2R)-2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100685034
N,N-dibenzyl-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891702
(2S)-2-[benzyl-[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 125072630
2-[[2-[N-(benzenesulfonyl)-3,5-dichloroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132639865
N-butyl-2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133258084
N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 5094263
N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
2-[benzyl-[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132638525
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N,N-dibenzylacetamide
CID 30170000
N-cyclopentyl-2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133247263
(2S)-N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 100633719

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43891681) is N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is ITRDCFMBOAUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N2O3S/c1-22-12-14-28(15-13-22)37(35,36)33(27-17-25(30)16-26(31)18-27)21-29(34)32(19-23-8-4-2-5-9-23)20-24-10-6-3-7-11-24/h2-18H,19-21H2,1H3.
What are the key properties of N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 553.51 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43891681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).