3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide

C20H26N4O3S — CID 46333797

IUPAC3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
SMILESCc1cccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C20H26N4O3S/c1-15-4-3-5-16(12-15)14-22-20(25)17-6-7-19(24-10-8-21-9-11-24)18(13-17)23-28(2,26)27/h3-7,12-13,21,23H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyOZCXOIWPOYCIKO-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.71
Rot. Bonds6

About 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide

3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide (PubChem CID 46333797) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
PubChem CID46333797
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
SMILESCc1cccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C20H26N4O3S/c1-15-4-3-5-16(12-15)14-22-20(25)17-6-7-19(24-10-8-21-9-11-24)18(13-17)23-28(2,26)27/h3-7,12-13,21,23H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyOZCXOIWPOYCIKO-UHFFFAOYSA-N
XLogP1.71
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333799
3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 46333576
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46333840
N-[(3-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059528
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333521
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059356
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333735
N-benzyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059306

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide (CID 46333797) is 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide is Cc1cccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide?
The InChIKey is OZCXOIWPOYCIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15-4-3-5-16(12-15)14-22-20(25)17-6-7-19(24-10-8-21-9-11-24)18(13-17)23-28(2,26)27/h3-7,12-13,21,23H,8-11,14H2,1-2H3,(H,22,25).
What are the key properties of 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide?
3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).