N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide

C20H25N3O4S — CID 99969488

IUPACN-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)28(25,26)15-16-7-9-17(10-8-16)20(24)21-18-5-3-4-6-19(18)27-2/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyNAKWMSBCUGRCIZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.02
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide

N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide (PubChem CID 99969488) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
PubChem CID99969488
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)28(25,26)15-16-7-9-17(10-8-16)20(24)21-18-5-3-4-6-19(18)27-2/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyNAKWMSBCUGRCIZ-UHFFFAOYSA-N
XLogP2.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969491
N-(2-methoxy-5-methylphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763715
N-(2,4-dimethylphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969463
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 99969536
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
N-[1-(2-methylphenoxy)propan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 132673621
N-[(2R)-1-methoxypropan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 95396866
N-[(2S)-1-methoxypropan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 95396865
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 50874512
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide
CID 19258158
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide (CID 99969488) is N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide is COc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide?
The InChIKey is NAKWMSBCUGRCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)28(25,26)15-16-7-9-17(10-8-16)20(24)21-18-5-3-4-6-19(18)27-2/h3-10H,11-15H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide?
N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide is sourced from PubChem (CID 99969488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).