N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C19H23N3O3S — CID 17299399

IUPACN-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3C)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)22-13-11-21(12-14-22)19(23)20-18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyVTVQPGXORUBPQF-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.84
Rot. Bonds3

About N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 17299399) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID17299399
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3C)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)22-13-11-21(12-14-22)19(23)20-18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyVTVQPGXORUBPQF-UHFFFAOYSA-N
XLogP2.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 68948948
N-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide
CID 8659830
N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 23767591
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110811075
2-(2,6-dimethylanilino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 78822838
2-(2-bromoanilino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 42069158

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 17299399) is N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3C)CC2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is VTVQPGXORUBPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-7-9-17(10-8-15)26(24,25)22-13-11-21(12-14-22)19(23)20-18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 17299399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).