2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide

C20H25N3O4S — CID 1320723

IUPAC2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)21-20(25)17-7-5-6-8-18(17)22-19(24)13-23(28(4,26)27)16-11-9-15(3)10-12-16/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyXGFWFPBBCLZZEZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.54
Rot. Bonds7

About 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 1320723) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID1320723
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)21-20(25)17-7-5-6-8-18(17)22-19(24)13-23(28(4,26)27)16-11-9-15(3)10-12-16/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyXGFWFPBBCLZZEZ-UHFFFAOYSA-N
XLogP2.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 4316415
2-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126034892
2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126415485
2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126126843
2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 126033185
2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propan-2-ylbenzamide
CID 21367609
N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126154518
2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126031687
2-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126154147
N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126118433
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide
CID 1311166

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide (CID 1320723) is 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide is Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is XGFWFPBBCLZZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(2)21-20(25)17-7-5-6-8-18(17)22-19(24)13-23(28(4,26)27)16-11-9-15(3)10-12-16/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1320723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).