4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide

C20H24N2O2S — CID 7847449

IUPAC4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H24N2O2S/c1-13(25-17-11-7-15(8-12-17)20(2,3)4)19(24)22-16-9-5-14(6-10-16)18(21)23/h5-13H,1-4H3,(H2,21,23)(H,22,24)/t13-/m0/s1
InChIKeyNEUDIVDAYXSHIB-ZDUSSCGKSA-N
MW356.49 g/mol
LogP4.20
Rot. Bonds5

About 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide

4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide (PubChem CID 7847449) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
PubChem CID7847449
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H24N2O2S/c1-13(25-17-11-7-15(8-12-17)20(2,3)4)19(24)22-16-9-5-14(6-10-16)18(21)23/h5-13H,1-4H3,(H2,21,23)(H,22,24)/t13-/m0/s1
InChIKeyNEUDIVDAYXSHIB-ZDUSSCGKSA-N
XLogP4.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]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

Related Compounds

4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813
4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]benzamide
CID 8633884
4-tert-butyl-N-[3-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]benzamide
CID 46778372
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 22780080
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
4-[2-[4-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide
CID 21383560

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide (CID 7847449) is 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide is C[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is NEUDIVDAYXSHIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13(25-17-11-7-15(8-12-17)20(2,3)4)19(24)22-16-9-5-14(6-10-16)18(21)23/h5-13H,1-4H3,(H2,21,23)(H,22,24)/t13-/m0/s1.
What are the key properties of 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide?
4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 7847449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).