2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide

C16H20FN5O3S — CID 59634204

IUPAC2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)(C(=O)Nc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C16H20FN5O3S/c1-16(2,26(24,25)22-9-8-12(17)10-22)14(23)19-15-18-13(20-21-15)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,18,19,20,21,23)/t12-/m1/s1
InChIKeyLXYSSSTWBPOFNV-GFCCVEGCSA-N
MW381.43 g/mol
LogP1.56
Rot. Bonds5

About 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide

2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 59634204) has the molecular formula C16H20FN5O3S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID59634204
Molecular FormulaC16H20FN5O3S
Molecular Weight381.43 g/mol
Exact Mass381.13
IUPAC Name2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)(C(=O)Nc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C16H20FN5O3S/c1-16(2,26(24,25)22-9-8-12(17)10-22)14(23)19-15-18-13(20-21-15)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,18,19,20,21,23)/t12-/m1/s1
InChIKeyLXYSSSTWBPOFNV-GFCCVEGCSA-N
XLogP1.56
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 58561999
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
CID 45256135
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide;molecular hydrogen
CID 143965057
1-ethyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
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2,2-dimethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
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2-(cyclopropylmethylsulfanyl)-N-[5-(3-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 90935334
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine
CID 50915409
N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine
CID 20786175
N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide
CID 9246070
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(2-methylpropylsulfonyl)propanamide
CID 54772185
2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide (CID 59634204) is 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide is CC(C)(C(=O)Nc1n[nH]c(-c2ccccc2)n1)S(=O)(=O)N1CC[C@@H](F)C1.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is LXYSSSTWBPOFNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FN5O3S/c1-16(2,26(24,25)22-9-8-12(17)10-22)14(23)19-15-18-13(20-21-15)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,18,19,20,21,23)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide?
2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 381.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 59634204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).