(2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide

C18H22N4O7S2 — CID 118368821

IUPAC(2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCN1Cc2cc(C#CC#CCNS(C)(=O)=O)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H22N4O7S2/c1-18(16(23)20-25,30(2,26)27)8-10-21-13-15-11-14(12-22(15)17(21)24)7-5-4-6-9-19-31(3,28)29/h11-12,19,25H,8-10,13H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyZMINVWIIEVWCDZ-GOSISDBHSA-N
MW470.53 g/mol
LogP-1.13
Rot. Bonds7

About (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide

(2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 118368821) has the molecular formula C18H22N4O7S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID118368821
Molecular FormulaC18H22N4O7S2
Molecular Weight470.53 g/mol
Exact Mass470.09
IUPAC Name(2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCN1Cc2cc(C#CC#CCNS(C)(=O)=O)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H22N4O7S2/c1-18(16(23)20-25,30(2,26)27)8-10-21-13-15-11-14(12-22(15)17(21)24)7-5-4-6-9-19-31(3,28)29/h11-12,19,25H,8-10,13H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyZMINVWIIEVWCDZ-GOSISDBHSA-N
XLogP-1.13
TPSA154.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide (CID 118368821) is (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCN1Cc2cc(C#CC#CCNS(C)(=O)=O)cn2C1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ZMINVWIIEVWCDZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O7S2/c1-18(16(23)20-25,30(2,26)27)8-10-21-13-15-11-14(12-22(15)17(21)24)7-5-4-6-9-19-31(3,28)29/h11-12,19,25H,8-10,13H2,1-3H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 470.53 g/mol, XLogP of -1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[6-[5-(methanesulfonamido)penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 118368821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).