N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C17H21N5O3S — CID 47048097

IUPACN-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C17H21N5O3S/c1-12-3-4-14(11-15(12)26(18,24)25)21-16(23)13-5-9-22(10-6-13)17-19-7-2-8-20-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,21,23)(H2,18,24,25)
InChIKeyIUMQUEHWOIKULD-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.29
Rot. Bonds4

About N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 47048097) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID47048097
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C17H21N5O3S/c1-12-3-4-14(11-15(12)26(18,24)25)21-16(23)13-5-9-22(10-6-13)17-19-7-2-8-20-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,21,23)(H2,18,24,25)
InChIKeyIUMQUEHWOIKULD-UHFFFAOYSA-N
XLogP1.29
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55363749
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75419257
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983436
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333861

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 47048097) is N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is IUMQUEHWOIKULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-12-3-4-14(11-15(12)26(18,24)25)21-16(23)13-5-9-22(10-6-13)17-19-7-2-8-20-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,21,23)(H2,18,24,25).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 47048097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).