3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide

C24H24ClN3O4S — CID 58009436

IUPAC3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(N)=O)c2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C24H24ClN3O4S/c1-16-9-11-20(12-10-16)33(31,32)28(22-8-4-7-21(25)17(22)2)15-23(29)27-14-18-5-3-6-19(13-18)24(26)30/h3-13H,14-15H2,1-2H3,(H2,26,30)(H,27,29)
InChIKeyOTARUBUYOLENPX-UHFFFAOYSA-N
MW485.99 g/mol
LogP3.57
Rot. Bonds8

About 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide

3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide (PubChem CID 58009436) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide
PubChem CID58009436
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(N)=O)c2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C24H24ClN3O4S/c1-16-9-11-20(12-10-16)33(31,32)28(22-8-4-7-21(25)17(22)2)15-23(29)27-14-18-5-3-6-19(13-18)24(26)30/h3-13H,14-15H2,1-2H3,(H2,26,30)(H,27,29)
InChIKeyOTARUBUYOLENPX-UHFFFAOYSA-N
XLogP3.57
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53279465
3-[3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]phenyl]propanoic acid
CID 24883247
3-[[[2-(N-(4-acetylphenyl)sulfonyl-3-chloro-2-methylanilino)acetyl]amino]methyl]benzoic acid
CID 58009556
N-[(3-butoxyphenyl)methyl]-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 71022482
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-nitrosophenyl)methyl]acetamide
CID 89196822
3-[[[2-(3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylanilino)acetyl]amino]methyl]benzoic acid
CID 58009520
3-[[[2-[3-chloro-2-(2-hydroxyethyl)-N-(4-methylphenyl)sulfonylanilino]acetyl]amino]methyl]benzoic acid
CID 58009619
3-[[[2-(3-chloro-N-[4-(3-methoxy-3-oxopropyl)phenyl]sulfonyl-2-methylanilino)acetyl]amino]methyl]benzoic acid
CID 58009499
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyridin-2-ylphenyl)methyl]acetamide
CID 58009444
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634112
3-[[[2-[2-methyl-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]methyl]benzoic acid
CID 58009717

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide (CID 58009436) is 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(N)=O)c2)c2cccc(Cl)c2C)cc1.
What is the InChIKey of 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide?
The InChIKey is OTARUBUYOLENPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-16-9-11-20(12-10-16)33(31,32)28(22-8-4-7-21(25)17(22)2)15-23(29)27-14-18-5-3-6-19(13-18)24(26)30/h3-13H,14-15H2,1-2H3,(H2,26,30)(H,27,29).
What are the key properties of 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide?
3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide has a molecular weight of 485.99 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 58009436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).