N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C18H22N4O3S — CID 17149179

IUPACN-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15-2-4-17(5-3-15)26(24,25)20-18(23)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyJIRHSKTYOOUTLD-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.61
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 17149179) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID17149179
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15-2-4-17(5-3-15)26(24,25)20-18(23)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyJIRHSKTYOOUTLD-UHFFFAOYSA-N
XLogP1.61
TPSA82.61 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110395597
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110422964
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226582
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
N-(3,4-dimethylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 134014932
4-tert-butyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 134015012
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
CID 110328586
(2-methyl-5-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226524

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 17149179) is N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is JIRHSKTYOOUTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-15-2-4-17(5-3-15)26(24,25)20-18(23)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3,(H,20,23).
What are the key properties of N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17149179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).