(2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C16H22N4O3S2 — CID 42110611

IUPAC(2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n(C(C)C)n1
InChIInChI=1S/C16H22N4O3S2/c1-11(2)20-14(10-12(3)18-20)17-16(21)13-6-4-8-19(13)25(22,23)15-7-5-9-24-15/h5,7,9-11,13H,4,6,8H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyMDKVBOBWWGQEKZ-CYBMUJFWSA-N
MW382.51 g/mol
LogP2.63
Rot. Bonds5

About (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 42110611) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID42110611
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name(2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n(C(C)C)n1
InChIInChI=1S/C16H22N4O3S2/c1-11(2)20-14(10-12(3)18-20)17-16(21)13-6-4-8-19(13)25(22,23)15-7-5-9-24-15/h5,7,9-11,13H,4,6,8H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyMDKVBOBWWGQEKZ-CYBMUJFWSA-N
XLogP2.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
N-(6-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826437
(2R)-N-(2-methyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 99702000
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
(2R)-N-(1-benzothiophen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614806
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614856
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555902
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 42110611) is (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n(C(C)C)n1.
What is the InChIKey of (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is MDKVBOBWWGQEKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-11(2)20-14(10-12(3)18-20)17-16(21)13-6-4-8-19(13)25(22,23)15-7-5-9-24-15/h5,7,9-11,13H,4,6,8H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42110611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).