4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide

C19H23N3O3S — CID 110637840

IUPAC4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-16-7-5-6-8-17(16)15-26(24,25)22-13-11-21(12-14-22)19(23)20-18-9-3-2-4-10-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyWMLOSYROABPIMU-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.67
Rot. Bonds4

About 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide

4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 110637840) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
PubChem CID110637840
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-16-7-5-6-8-17(16)15-26(24,25)22-13-11-21(12-14-22)19(23)20-18-9-3-2-4-10-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyWMLOSYROABPIMU-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637841
4-[(2-methylphenyl)methylsulfonyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110812023
1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea
CID 110638075
N-tert-butyl-4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepane-1-carboxamide
CID 110812024
methyl 4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepane-1-carboxylate
CID 110799061
4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide
CID 110346706
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
(3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110294263
4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094017
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110646744
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
N,N-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819070

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide (CID 110637840) is 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide is Cc1ccccc1CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is WMLOSYROABPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-16-7-5-6-8-17(16)15-26(24,25)22-13-11-21(12-14-22)19(23)20-18-9-3-2-4-10-18/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide?
4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110637840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).