2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

C21H28N4O4S — CID 46304561

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(C)cc(C)nc1=O
InChIInChI=1S/C21H28N4O4S/c1-4-19(25-16(3)14-15(2)22-21(25)27)20(26)23-17-8-10-18(11-9-17)30(28,29)24-12-6-5-7-13-24/h8-11,14,19H,4-7,12-13H2,1-3H3,(H,23,26)
InChIKeyAXRLDHBMDOVYQJ-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.62
Rot. Bonds6

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 46304561) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID46304561
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(C)cc(C)nc1=O
InChIInChI=1S/C21H28N4O4S/c1-4-19(25-16(3)14-15(2)22-21(25)27)20(26)23-17-8-10-18(11-9-17)30(28,29)24-12-6-5-7-13-24/h8-11,14,19H,4-7,12-13H2,1-3H3,(H,23,26)
InChIKeyAXRLDHBMDOVYQJ-UHFFFAOYSA-N
XLogP2.62
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide
CID 42270881
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide
CID 27261531
ethyl 2-[[5-amino-4-[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)butan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 46306548
methyl 2-[[5-amino-4-[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)butan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 46306384
5,7-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2117306
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 30659870
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 26075409
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 4928488
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 58326585
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 108807916
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide (CID 46304561) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide is CCC(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(C)cc(C)nc1=O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is AXRLDHBMDOVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-4-19(25-16(3)14-15(2)22-21(25)27)20(26)23-17-8-10-18(11-9-17)30(28,29)24-12-6-5-7-13-24/h8-11,14,19H,4-7,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 432.55 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 46304561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).