N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide

C18H22N4O3S — CID 74238790

IUPACN-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C18H22N4O3S/c1-13-17(12-19-14(2)20-13)18(23)21-15-8-10-22(11-9-15)26(24,25)16-6-4-3-5-7-16/h3-7,12,15H,8-11H2,1-2H3,(H,21,23)
InChIKeyGOJZNWOCAXCUMI-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.68
Rot. Bonds4

About N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide

N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 74238790) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID74238790
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C18H22N4O3S/c1-13-17(12-19-14(2)20-13)18(23)21-15-8-10-22(11-9-15)26(24,25)16-6-4-3-5-7-16/h3-7,12,15H,8-11H2,1-2H3,(H,21,23)
InChIKeyGOJZNWOCAXCUMI-UHFFFAOYSA-N
XLogP1.68
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 124959856
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide
CID 24617778
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide
CID 91247173
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide (CID 74238790) is N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1.
What is the InChIKey of N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is GOJZNWOCAXCUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-17(12-19-14(2)20-13)18(23)21-15-8-10-22(11-9-15)26(24,25)16-6-4-3-5-7-16/h3-7,12,15H,8-11H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 74238790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).