N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide

C24H25N3O3S — CID 55898896

IUPACN-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide
SMILESCC(=O)NC(CC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1)c1cccs1
InChIInChI=1S/C24H25N3O3S/c1-16-8-10-19(11-9-16)24(30)27-20-6-3-5-18(13-20)15-25-23(29)14-21(26-17(2)28)22-7-4-12-31-22/h3-13,21H,14-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyMZYJYLAJMVVYOM-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.19
Rot. Bonds8

About N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide

N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide (PubChem CID 55898896) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide
PubChem CID55898896
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide
SMILESCC(=O)NC(CC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1)c1cccs1
InChIInChI=1S/C24H25N3O3S/c1-16-8-10-19(11-9-16)24(30)27-20-6-3-5-18(13-20)15-25-23(29)14-21(26-17(2)28)22-7-4-12-31-22/h3-13,21H,14-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyMZYJYLAJMVVYOM-UHFFFAOYSA-N
XLogP4.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide 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-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903975
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 134003536
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
ethyl [4-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108932014
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 71894859
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495
ethyl [4-[[3-[(4-oxopentanoylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108932100
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide (CID 55898896) is N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide is CC(=O)NC(CC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1)c1cccs1.
What is the InChIKey of N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide?
The InChIKey is MZYJYLAJMVVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16-8-10-19(11-9-16)24(30)27-20-6-3-5-18(13-20)15-25-23(29)14-21(26-17(2)28)22-7-4-12-31-22/h3-13,21H,14-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide?
N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide has a molecular weight of 435.55 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 55898896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).