N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

C17H24N4O5S — CID 127707313

IUPACN-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)N2CCN3C(=O)CCC3C2)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H24N4O5S/c1-19(2)27(24,25)15-6-4-12(10-14(15)26-3)18-17(23)20-8-9-21-13(11-20)5-7-16(21)22/h4,6,10,13H,5,7-9,11H2,1-3H3,(H,18,23)
InChIKeyMZQXAOHGKOTCRW-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.78
Rot. Bonds4

About N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 127707313) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID127707313
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC NameN-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)N2CCN3C(=O)CCC3C2)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H24N4O5S/c1-19(2)27(24,25)15-6-4-12(10-14(15)26-3)18-17(23)20-8-9-21-13(11-20)5-7-16(21)22/h4,6,10,13H,5,7-9,11H2,1-3H3,(H,18,23)
InChIKeyMZQXAOHGKOTCRW-UHFFFAOYSA-N
XLogP0.78
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-4-methoxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855959
methyl 2-chloro-5-[[(3R)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]amino]benzoate
CID 97433884
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95622514
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 72926629
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9474100
2-(2-amino-5-methoxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856490
N-cyclopentyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 115870401
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 112605617
(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95136455
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (CID 127707313) is N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is COc1cc(NC(=O)N2CCN3C(=O)CCC3C2)ccc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is MZQXAOHGKOTCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-19(2)27(24,25)15-6-4-12(10-14(15)26-3)18-17(23)20-8-9-21-13(11-20)5-7-16(21)22/h4,6,10,13H,5,7-9,11H2,1-3H3,(H,18,23).
What are the key properties of N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)-3-methoxyphenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 127707313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).