4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide

C22H24N4O4S — CID 26181761

IUPAC4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nn3cnc4ccccc4c3=O)cc2)C1
InChIInChI=1S/C22H24N4O4S/c1-15-11-16(2)13-25(12-15)31(29,30)18-9-7-17(8-10-18)21(27)24-26-14-23-20-6-4-3-5-19(20)22(26)28/h3-10,14-16H,11-13H2,1-2H3,(H,24,27)/t15-,16-/m1/s1
InChIKeyUCGAXQFUWGOAJC-HZPDHXFCSA-N
MW440.53 g/mol
LogP2.45
Rot. Bonds4

About 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide

4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 26181761) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide
PubChem CID26181761
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nn3cnc4ccccc4c3=O)cc2)C1
InChIInChI=1S/C22H24N4O4S/c1-15-11-16(2)13-25(12-15)31(29,30)18-9-7-17(8-10-18)21(27)24-26-14-23-20-6-4-3-5-19(20)22(26)28/h3-10,14-16H,11-13H2,1-2H3,(H,24,27)/t15-,16-/m1/s1
InChIKeyUCGAXQFUWGOAJC-HZPDHXFCSA-N
XLogP2.45
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2583459
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
CID 166206906
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
CID 2623059
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227332
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2358996
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 5207549
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(9,10-dioxoanthracen-1-yl)benzamide
CID 92848131

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide (CID 26181761) is 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nn3cnc4ccccc4c3=O)cc2)C1.
What is the InChIKey of 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is UCGAXQFUWGOAJC-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-11-16(2)13-25(12-15)31(29,30)18-9-7-17(8-10-18)21(27)24-26-14-23-20-6-4-3-5-19(20)22(26)28/h3-10,14-16H,11-13H2,1-2H3,(H,24,27)/t15-,16-/m1/s1.
What are the key properties of 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide?
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 440.53 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 26181761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).