4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide

C19H24N2O2S — CID 32988009

IUPAC4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccsc1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-9-10-24-16(13)11-20-17(22)12-21-18(23)14-5-7-15(8-6-14)19(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyIYMHUOOUCQVPJJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.40
Rot. Bonds5

About 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 32988009) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID32988009
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccsc1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-9-10-24-16(13)11-20-17(22)12-21-18(23)14-5-7-15(8-6-14)19(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyIYMHUOOUCQVPJJ-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]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-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991351
N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43742121
4-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958843
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588017
4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
CID 126827476
4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide
CID 126828134
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
N-benzyl-2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]acetamide
CID 111892353
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991282

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide (CID 32988009) is 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide is Cc1ccsc1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is IYMHUOOUCQVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-9-10-24-16(13)11-20-17(22)12-21-18(23)14-5-7-15(8-6-14)19(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 344.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 32988009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).