4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide

C20H27N3O4S — CID 155180733

IUPAC4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide
SMILESCOc1ccc(C(=O)NC2=CCC(S(=O)(=O)N3CCN(C)CC3)C=C2)cc1C
InChIInChI=1S/C20H27N3O4S/c1-15-14-16(4-9-19(15)27-3)20(24)21-17-5-7-18(8-6-17)28(25,26)23-12-10-22(2)11-13-23/h4-7,9,14,18H,8,10-13H2,1-3H3,(H,21,24)
InChIKeyCNUBDDBNPRVWKX-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.52
Rot. Bonds5

About 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide

4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide (PubChem CID 155180733) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide
PubChem CID155180733
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide
SMILESCOc1ccc(C(=O)NC2=CCC(S(=O)(=O)N3CCN(C)CC3)C=C2)cc1C
InChIInChI=1S/C20H27N3O4S/c1-15-14-16(4-9-19(15)27-3)20(24)21-17-5-7-18(8-6-17)28(25,26)23-12-10-22(2)11-13-23/h4-7,9,14,18H,8,10-13H2,1-3H3,(H,21,24)
InChIKeyCNUBDDBNPRVWKX-UHFFFAOYSA-N
XLogP1.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]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

4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 99968279
N-(3,4-dimethylphenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99966830
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 133159976
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide
CID 9081738
N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
CID 155705982
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-phenylpropanamide
CID 132693774
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide?
The IUPAC name of 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide (CID 155180733) is 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide is COc1ccc(C(=O)NC2=CCC(S(=O)(=O)N3CCN(C)CC3)C=C2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide?
The InChIKey is CNUBDDBNPRVWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-15-14-16(4-9-19(15)27-3)20(24)21-17-5-7-18(8-6-17)28(25,26)23-12-10-22(2)11-13-23/h4-7,9,14,18H,8,10-13H2,1-3H3,(H,21,24).
What are the key properties of 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide?
4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]benzamide is sourced from PubChem (CID 155180733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).