N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide

C20H33N5O5S — CID 140835935

IUPACN,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide
SMILESCC1CC(CN2N=C(C(=O)N(C)C)C3CCC(S(=O)(=O)NC4(C)CC4)CC3C2=O)ON1
InChIInChI=1S/C20H33N5O5S/c1-12-9-13(30-22-12)11-25-18(26)16-10-14(31(28,29)23-20(2)7-8-20)5-6-15(16)17(21-25)19(27)24(3)4/h12-16,22-23H,5-11H2,1-4H3
InChIKeyAVJYYLJDCHBLJI-UHFFFAOYSA-N
MW455.58 g/mol
LogP0.21
Rot. Bonds6

About N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide

N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide (PubChem CID 140835935) has the molecular formula C20H33N5O5S and a molecular weight of 455.58 g/mol. Its IUPAC name is N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide
PubChem CID140835935
Molecular FormulaC20H33N5O5S
Molecular Weight455.58 g/mol
Exact Mass455.22
IUPAC NameN,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide
SMILESCC1CC(CN2N=C(C(=O)N(C)C)C3CCC(S(=O)(=O)NC4(C)CC4)CC3C2=O)ON1
InChIInChI=1S/C20H33N5O5S/c1-12-9-13(30-22-12)11-25-18(26)16-10-14(31(28,29)23-20(2)7-8-20)5-6-15(16)17(21-25)19(27)24(3)4/h12-16,22-23H,5-11H2,1-4H3
InChIKeyAVJYYLJDCHBLJI-UHFFFAOYSA-N
XLogP0.21
TPSA120.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide with MolForge

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Related Compounds

6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide
CID 140835572
4-bromo-N-(1-methylcyclopropyl)-2-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-1-oxo-4a,5,6,7,8,8a-hexahydroisoquinoline-7-sulfonamide
CID 140835687
N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140835513
N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-2,4-dioxo-1-[(5-oxopyrrolidin-2-yl)methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140836056
N-[1-(fluoromethyl)cyclopropyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-2,4-dioxo-1-prop-2-ynyl-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140835735
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methylpyrazolidin-3-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140836045
3-[(2,5-dimethylpyrazolidin-3-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140835785
3-methyl-1-[(2-methylcyclohexyl)methyl]-N-(1-methylcyclopropyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140835914
1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140835990
3-methyl-N-(1-methylcyclopropyl)-1-[(2-methylcyclopropyl)methyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazole-5-sulfonamide
CID 140884785
3-[(3,5-dimethyl-1,2-oxazolidin-4-yl)methyl]-N-(1-methylcyclopropyl)-2,4-dioxo-1-prop-2-ynyl-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140836041
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-6-sulfonamide
CID 140835579

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide (CID 140835935) is N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide is CC1CC(CN2N=C(C(=O)N(C)C)C3CCC(S(=O)(=O)NC4(C)CC4)CC3C2=O)ON1.
What is the InChIKey of N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide?
The InChIKey is AVJYYLJDCHBLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O5S/c1-12-9-13(30-22-12)11-25-18(26)16-10-14(31(28,29)23-20(2)7-8-20)5-6-15(16)17(21-25)19(27)24(3)4/h12-16,22-23H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide?
N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(1-methylcyclopropyl)sulfamoyl]-3-[(3-methyl-1,2-oxazolidin-5-yl)methyl]-4-oxo-4a,5,6,7,8,8a-hexahydrophthalazine-1-carboxamide is sourced from PubChem (CID 140835935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).