N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C20H25N3O3S — CID 1233877

IUPACN-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C20H25N3O3S/c1-21-12-14-22(15-13-21)20(24)18-10-6-7-11-19(18)23(27(2,25)26)16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyUPTHDWQGTSTTCI-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.04
Rot. Bonds5

About N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 1233877) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID1233877
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C20H25N3O3S/c1-21-12-14-22(15-13-21)20(24)18-10-6-7-11-19(18)23(27(2,25)26)16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyUPTHDWQGTSTTCI-UHFFFAOYSA-N
XLogP2.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dibenzepin
CID 9419
Dibenzepin Hydrochloride
CID 443945
Bentazon methyl
CID 611316
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 2440433
Bentazone-sodium
CID 13124860
1-Benzoyl-4-phenylpiperazine
CID 258240
1-Benzyl-3-isopropyl-1,2,3,4-tetrahydro-2lambda~6~,1,3-benzothiadiazine-2,2,4-trione
CID 2825491
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 10858497
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
1-Benzoyl-4-(2-fluorophenyl)piperazine
CID 2261366
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 1233877) is N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is UPTHDWQGTSTTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-21-12-14-22(15-13-21)20(24)18-10-6-7-11-19(18)23(27(2,25)26)16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 1233877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).