3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide

C17H27N5O3S — CID 167956330

IUPAC3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)NC1CCOC(c2cncn2C)C1
InChIInChI=1S/C17H27N5O3S/c1-5-13-17(14(6-2)22(4)19-13)26(23,24)20-12-7-8-25-16(9-12)15-10-18-11-21(15)3/h10-12,16,20H,5-9H2,1-4H3
InChIKeyAGCAHKDIORXDML-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.48
Rot. Bonds6

About 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide

3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide (PubChem CID 167956330) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
PubChem CID167956330
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)NC1CCOC(c2cncn2C)C1
InChIInChI=1S/C17H27N5O3S/c1-5-13-17(14(6-2)22(4)19-13)26(23,24)20-12-7-8-25-16(9-12)15-10-18-11-21(15)3/h10-12,16,20H,5-9H2,1-4H3
InChIKeyAGCAHKDIORXDML-UHFFFAOYSA-N
XLogP1.48
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129331407
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 167753178
3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 129005299
N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333164
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333162
2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide
CID 128967939
6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
CID 128998219
2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
CID 129341065
(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129328384
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
2-chloro-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 129331112
2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 129331114

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide (CID 167956330) is 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide is CCc1nn(C)c(CC)c1S(=O)(=O)NC1CCOC(c2cncn2C)C1.
What is the InChIKey of 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide?
The InChIKey is AGCAHKDIORXDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-5-13-17(14(6-2)22(4)19-13)26(23,24)20-12-7-8-25-16(9-12)15-10-18-11-21(15)3/h10-12,16,20H,5-9H2,1-4H3.
What are the key properties of 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide?
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 167956330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).