1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide

C20H24N4O5S — CID 92558119

IUPAC1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cc(=O)n(C)c(=O)n4C)[C@H]3C2)cc1
InChIInChI=1S/C20H24N4O5S/c1-12-4-6-14(7-5-12)30(28,29)24-10-13-8-16(15(13)11-24)21-19(26)17-9-18(25)23(3)20(27)22(17)2/h4-7,9,13,15-16H,8,10-11H2,1-3H3,(H,21,26)/t13-,15+,16+/m1/s1
InChIKeyQROGRAAYCYFAPK-KBMXLJTQSA-N
MW432.50 g/mol
LogP-0.17
Rot. Bonds4

About 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 92558119) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide
PubChem CID92558119
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cc(=O)n(C)c(=O)n4C)[C@H]3C2)cc1
InChIInChI=1S/C20H24N4O5S/c1-12-4-6-14(7-5-12)30(28,29)24-10-13-8-16(15(13)11-24)21-19(26)17-9-18(25)23(3)20(27)22(17)2/h4-7,9,13,15-16H,8,10-11H2,1-3H3,(H,21,26)/t13-,15+,16+/m1/s1
InChIKeyQROGRAAYCYFAPK-KBMXLJTQSA-N
XLogP-0.17
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide with MolForge

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Related Compounds

N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-4-carboxamide
CID 92558151
3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-amine
CID 21475417
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
2-[1-(4-methylphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681735
(1R,5S)-7-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane-2,4-dione
CID 92539490
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
sodium 1-(4-methylphenyl)sulfonylazetidine-3-carboxylate
CID 140937929
[(1S,5R,6S,7R)-7-benzoyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-phenylmethanone
CID 11167059
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2148503
1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide
CID 23848938
(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044550
(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044668

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide (CID 92558119) is 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cc(=O)n(C)c(=O)n4C)[C@H]3C2)cc1.
What is the InChIKey of 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is QROGRAAYCYFAPK-KBMXLJTQSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-12-4-6-14(7-5-12)30(28,29)24-10-13-8-16(15(13)11-24)21-19(26)17-9-18(25)23(3)20(27)22(17)2/h4-7,9,13,15-16H,8,10-11H2,1-3H3,(H,21,26)/t13-,15+,16+/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide?
1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 432.50 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 92558119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).