4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide

C22H30N4O4S — CID 53278475

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)CC1
InChIInChI=1S/C22H30N4O4S/c1-24(2)31(28,29)26(4)19-9-5-17(6-10-19)22(27)23-18-7-11-20(12-8-18)30-21-13-15-25(3)16-14-21/h5-12,21H,13-16H2,1-4H3,(H,23,27)
InChIKeyXZGBMPOZQOPVHM-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.65
Rot. Bonds7

About 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide (PubChem CID 53278475) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
PubChem CID53278475
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)CC1
InChIInChI=1S/C22H30N4O4S/c1-24(2)31(28,29)26(4)19-9-5-17(6-10-19)22(27)23-18-7-11-20(12-8-18)30-21-13-15-25(3)16-14-21/h5-12,21H,13-16H2,1-4H3,(H,23,27)
InChIKeyXZGBMPOZQOPVHM-UHFFFAOYSA-N
XLogP2.65
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 99971328
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
4-[dimethylsulfamoyl(methyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278389
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100504301
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 13322356
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92642400
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide (CID 53278475) is 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide is CN1CCC(Oc2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)CC1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide?
The InChIKey is XZGBMPOZQOPVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-24(2)31(28,29)26(4)19-9-5-17(6-10-19)22(27)23-18-7-11-20(12-8-18)30-21-13-15-25(3)16-14-21/h5-12,21H,13-16H2,1-4H3,(H,23,27).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide has a molecular weight of 446.57 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 53278475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).