N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C17H22N4O3S — CID 5308159

IUPACN-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1C
InChIInChI=1S/C17H22N4O3S/c1-12-5-6-15(8-13(12)2)20-17(22)14-4-3-7-21(10-14)25(23,24)16-9-18-11-19-16/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyIEUPYHZIHPXZTA-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.07
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5308159) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5308159
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1C
InChIInChI=1S/C17H22N4O3S/c1-12-5-6-15(8-13(12)2)20-17(22)14-4-3-7-21(10-14)25(23,24)16-9-18-11-19-16/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyIEUPYHZIHPXZTA-UHFFFAOYSA-N
XLogP2.07
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5308159) is N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is IEUPYHZIHPXZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-5-6-15(8-13(12)2)20-17(22)14-4-3-7-21(10-14)25(23,24)16-9-18-11-19-16/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).