(2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C15H20N4O3S2 — CID 52512502

IUPAC(2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCn1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C15H20N4O3S2/c1-18-11-12(10-17-18)6-7-16-15(20)13-4-2-8-19(13)24(21,22)14-5-3-9-23-14/h3,5,9-11,13H,2,4,6-8H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyFSCIUIDTAKNAKU-CYBMUJFWSA-N
MW368.48 g/mol
LogP0.99
Rot. Bonds6

About (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 52512502) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID52512502
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name(2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCn1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C15H20N4O3S2/c1-18-11-12(10-17-18)6-7-16-15(20)13-4-2-8-19(13)24(21,22)14-5-3-9-23-14/h3,5,9-11,13H,2,4,6-8H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyFSCIUIDTAKNAKU-CYBMUJFWSA-N
XLogP0.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119533743
N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119555303
(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95595336
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 94120629

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 52512502) is (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is Cn1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1.
What is the InChIKey of (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is FSCIUIDTAKNAKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-18-11-12(10-17-18)6-7-16-15(20)13-4-2-8-19(13)24(21,22)14-5-3-9-23-14/h3,5,9-11,13H,2,4,6-8H2,1H3,(H,16,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 52512502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).