(2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride

C19H22ClN3O5S2 — CID 155569661

IUPAC(2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride
SMILESC[C@@](CCN1Cc2cc(C#CC#CC3(N)CC3)sc2C1=O)(C(=O)NO)S(C)(=O)=O.Cl
InChIInChI=1S/C19H21N3O5S2.ClH/c1-18(17(24)21-25,29(2,26)27)9-10-22-12-13-11-14(28-15(13)16(22)23)5-3-4-6-19(20)7-8-19;/h11,25H,7-10,12,20H2,1-2H3,(H,21,24);1H/t18-;/m1./s1
InChIKeyGJUOWFYOROLAPN-GMUIIQOCSA-N
MW471.99 g/mol
LogP0.67
Rot. Bonds5

About (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride

(2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride (PubChem CID 155569661) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride
PubChem CID155569661
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC Name(2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride
SMILESC[C@@](CCN1Cc2cc(C#CC#CC3(N)CC3)sc2C1=O)(C(=O)NO)S(C)(=O)=O.Cl
InChIInChI=1S/C19H21N3O5S2.ClH/c1-18(17(24)21-25,29(2,26)27)9-10-22-12-13-11-14(28-15(13)16(22)23)5-3-4-6-19(20)7-8-19;/h11,25H,7-10,12,20H2,1-2H3,(H,21,24);1H/t18-;/m1./s1
InChIKeyGJUOWFYOROLAPN-GMUIIQOCSA-N
XLogP0.67
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride (CID 155569661) is (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride is C[C@@](CCN1Cc2cc(C#CC#CC3(N)CC3)sc2C1=O)(C(=O)NO)S(C)(=O)=O.Cl.
What is the InChIKey of (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride?
The InChIKey is GJUOWFYOROLAPN-GMUIIQOCSA-N. The full InChI is InChI=1S/C19H21N3O5S2.ClH/c1-18(17(24)21-25,29(2,26)27)9-10-22-12-13-11-14(28-15(13)16(22)23)5-3-4-6-19(20)7-8-19;/h11,25H,7-10,12,20H2,1-2H3,(H,21,24);1H/t18-;/m1./s1.
What are the key properties of (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride?
(2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride has a molecular weight of 471.99 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-[4-(1-aminocyclopropyl)buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 155569661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).