N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide

C26H26N2O4S — CID 60517612

IUPACN-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide
SMILESCc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)s1
InChIInChI=1S/C26H26N2O4S/c1-17-8-10-20(27-26(32)19-6-4-3-5-7-19)16-22(17)28-25(31)15-12-21(29)11-13-23(30)24-14-9-18(2)33-24/h3-10,14,16H,11-13,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyWKDYQTFFPZZUGE-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.57
Rot. Bonds10

About N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide

N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide (PubChem CID 60517612) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide
PubChem CID60517612
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide
SMILESCc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)s1
InChIInChI=1S/C26H26N2O4S/c1-17-8-10-20(27-26(32)19-6-4-3-5-7-19)16-22(17)28-25(31)15-12-21(29)11-13-23(30)24-14-9-18(2)33-24/h3-10,14,16H,11-13,15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyWKDYQTFFPZZUGE-UHFFFAOYSA-N
XLogP5.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]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

N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-(4-bromo-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 46600478
N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 46409125
N-[3-(2,2-dimethylpropanoylamino)phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55631776
N-(3-chloro-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 39889391
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide
CID 86994865
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
N-[2-(2-methoxyethoxy)-4-methylphenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55950666
4-chloro-N-[2-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]ethyl]benzamide
CID 55631917

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide?
The IUPAC name of N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide (CID 60517612) is N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide is Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)s1.
What is the InChIKey of N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide?
The InChIKey is WKDYQTFFPZZUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-17-8-10-20(27-26(32)19-6-4-3-5-7-19)16-22(17)28-25(31)15-12-21(29)11-13-23(30)24-14-9-18(2)33-24/h3-10,14,16H,11-13,15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide?
N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide has a molecular weight of 462.57 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide is sourced from PubChem (CID 60517612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).