4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide

C17H26N4O2S — CID 119325036

IUPAC4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1
InChIInChI=1S/C17H26N4O2S/c1-24-10-7-14(18)17(23)20-12-5-6-13(16(19)22)15(11-12)21-8-3-2-4-9-21/h5-6,11,14H,2-4,7-10,18H2,1H3,(H2,19,22)(H,20,23)/t14-/m0/s1
InChIKeyISBZELLXAGUQRP-AWEZNQCLSA-N
MW350.49 g/mol
LogP1.79
Rot. Bonds7

About 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide

4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide (PubChem CID 119325036) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide
PubChem CID119325036
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1
InChIInChI=1S/C17H26N4O2S/c1-24-10-7-14(18)17(23)20-12-5-6-13(16(19)22)15(11-12)21-8-3-2-4-9-21/h5-6,11,14H,2-4,7-10,18H2,1H3,(H2,19,22)(H,20,23)/t14-/m0/s1
InChIKeyISBZELLXAGUQRP-AWEZNQCLSA-N
XLogP1.79
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide 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-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119325043
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-chlorobenzamide
CID 61179378
4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylbenzoic acid
CID 104908297
(2R)-2-amino-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutanamide
CID 104906781
(2S)-2-amino-4-methylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262501
(2S)-2-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-methylsulfanylbutanamide
CID 61148066
(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide
CID 119322563
4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119786091
(2S)-2-amino-4-methylsulfanyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide
CID 61154272
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)-4-methylsulfanylbutanamide
CID 55119461

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide (CID 119325036) is 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide is CSCC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1.
What is the InChIKey of 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide?
The InChIKey is ISBZELLXAGUQRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-24-10-7-14(18)17(23)20-12-5-6-13(16(19)22)15(11-12)21-8-3-2-4-9-21/h5-6,11,14H,2-4,7-10,18H2,1H3,(H2,19,22)(H,20,23)/t14-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide?
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide has a molecular weight of 350.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 119325036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).