1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide

C22H29N5O4S — CID 17224394

IUPAC1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2)n1
InChIInChI=1S/C22H29N5O4S/c1-15-9-12-23-21(24-15)26-32(30,31)18-7-5-17(6-8-18)25-19(28)16-10-13-27(14-11-16)20(29)22(2,3)4/h5-9,12,16H,10-11,13-14H2,1-4H3,(H,25,28)(H,23,24,26)
InChIKeyCRBCFPLDIQIDJV-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.81
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide (PubChem CID 17224394) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
PubChem CID17224394
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2)n1
InChIInChI=1S/C22H29N5O4S/c1-15-9-12-23-21(24-15)26-32(30,31)18-7-5-17(6-8-18)25-19(28)16-10-13-27(14-11-16)20(29)22(2,3)4/h5-9,12,16H,10-11,13-14H2,1-4H3,(H,25,28)(H,23,24,26)
InChIKeyCRBCFPLDIQIDJV-UHFFFAOYSA-N
XLogP2.81
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide 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

1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99952302
(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 29450765
N-[4-(tert-butylsulfamoyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224431
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787379
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 43908040
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
1-(2-ethylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120392
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778513
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520655

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide (CID 17224394) is 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2)n1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The InChIKey is CRBCFPLDIQIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-15-9-12-23-21(24-15)26-32(30,31)18-7-5-17(6-8-18)25-19(28)16-10-13-27(14-11-16)20(29)22(2,3)4/h5-9,12,16H,10-11,13-14H2,1-4H3,(H,25,28)(H,23,24,26).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 17224394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).