N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide

C22H29N3O5S — CID 3602258

IUPACN-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)CC)S(C)(=O)=O)cc1
InChIInChI=1S/C22H29N3O5S/c1-5-16(3)23-22(27)19-9-7-8-10-20(19)24-21(26)15-25(31(4,28)29)17-11-13-18(14-12-17)30-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyWETAKWFKFZHBCQ-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.02
Rot. Bonds10

About N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide

N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 3602258) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID3602258
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)CC)S(C)(=O)=O)cc1
InChIInChI=1S/C22H29N3O5S/c1-5-16(3)23-22(27)19-9-7-8-10-20(19)24-21(26)15-25(31(4,28)29)17-11-13-18(14-12-17)30-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyWETAKWFKFZHBCQ-UHFFFAOYSA-N
XLogP3.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 3602258) is N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide is CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)CC)S(C)(=O)=O)cc1.
What is the InChIKey of N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is WETAKWFKFZHBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-5-16(3)23-22(27)19-9-7-8-10-20(19)24-21(26)15-25(31(4,28)29)17-11-13-18(14-12-17)30-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 447.56 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 3602258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).