4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide

C21H29N5O4S — CID 24610746

IUPAC4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H29N5O4S/c1-15(2)24-31(28,29)19-13-16(5-7-18(19)30-4)21(27)23-17-6-8-20(22-14-17)26-11-9-25(3)10-12-26/h5-8,13-15,24H,9-12H2,1-4H3,(H,23,27)
InChIKeyMMWVPBHGPPRODK-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.78
Rot. Bonds7

About 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 24610746) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID24610746
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC Name4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H29N5O4S/c1-15(2)24-31(28,29)19-13-16(5-7-18(19)30-4)21(27)23-17-6-8-20(22-14-17)26-11-9-25(3)10-12-26/h5-8,13-15,24H,9-12H2,1-4H3,(H,23,27)
InChIKeyMMWVPBHGPPRODK-UHFFFAOYSA-N
XLogP1.78
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)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-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide
CID 25396889
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24590411
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 25396665
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496293
3-(cyclopropylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-methoxybenzamide
CID 55814556
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373539

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 24610746) is 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is MMWVPBHGPPRODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-15(2)24-31(28,29)19-13-16(5-7-18(19)30-4)21(27)23-17-6-8-20(22-14-17)26-11-9-25(3)10-12-26/h5-8,13-15,24H,9-12H2,1-4H3,(H,23,27).
What are the key properties of 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 447.56 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 24610746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).