N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide

C19H26FN3O4S — CID 24856071

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F
InChIInChI=1S/C19H26FN3O4S/c1-18(2,3)15-11-16(23(6)22-15)21-17(24)19(4,5)28(25,26)12-8-9-14(27-7)13(20)10-12/h8-11H,1-7H3,(H,21,24)
InChIKeyLMUYSEGJXNFQOC-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.06
Rot. Bonds5

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide (PubChem CID 24856071) has the molecular formula C19H26FN3O4S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide
PubChem CID24856071
Molecular FormulaC19H26FN3O4S
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F
InChIInChI=1S/C19H26FN3O4S/c1-18(2,3)15-11-16(23(6)22-15)21-17(24)19(4,5)28(25,26)12-8-9-14(27-7)13(20)10-12/h8-11H,1-7H3,(H,21,24)
InChIKeyLMUYSEGJXNFQOC-UHFFFAOYSA-N
XLogP3.06
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 87305835
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide
CID 58198592
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 2811926
3-tert-butyl-N-(2-chloro-4-fluoro-5-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10807033
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
CID 58198732
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811236
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
CID 43361649

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide (CID 24856071) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide is COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The InChIKey is LMUYSEGJXNFQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4S/c1-18(2,3)15-11-16(23(6)22-15)21-17(24)19(4,5)28(25,26)12-8-9-14(27-7)13(20)10-12/h8-11H,1-7H3,(H,21,24).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide has a molecular weight of 411.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 24856071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).