2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide

C22H29N3O4S — CID 126139978

IUPAC2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O4S/c1-15(2)13-23-22(27)18-8-6-7-9-19(18)24-21(26)14-25(30(5,28)29)20-12-16(3)10-11-17(20)4/h6-12,15H,13-14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyMZGZMFKLMPFXTG-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.09
Rot. Bonds8

About 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 126139978) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID126139978
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O4S/c1-15(2)13-23-22(27)18-8-6-7-9-19(18)24-21(26)14-25(30(5,28)29)20-12-16(3)10-11-17(20)4/h6-12,15H,13-14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyMZGZMFKLMPFXTG-UHFFFAOYSA-N
XLogP3.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126126509
2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propan-2-ylbenzamide
CID 21367609
N-(2-methylpropyl)-2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 1316764
2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126120794
N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126118433
N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1311681
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145187
2-[[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126412634
2-[[2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126123434
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126119507
2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 1320723

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide (CID 126139978) is 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide is Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is MZGZMFKLMPFXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-15(2)13-23-22(27)18-8-6-7-9-19(18)24-21(26)14-25(30(5,28)29)20-12-16(3)10-11-17(20)4/h6-12,15H,13-14H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 126139978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).