N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

C20H25N3O3S2 — CID 9166137

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H25N3O3S2/c24-20(15-22-11-3-5-18(22)19-6-4-14-27-19)21-16-7-9-17(10-8-16)28(25,26)23-12-1-2-13-23/h4,6-10,14,18H,1-3,5,11-13,15H2,(H,21,24)/t18-/m1/s1
InChIKeyMYDVYHQJMUZEIZ-GOSISDBHSA-N
MW419.57 g/mol
LogP3.31
Rot. Bonds6

About N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 9166137) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
PubChem CID9166137
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H25N3O3S2/c24-20(15-22-11-3-5-18(22)19-6-4-14-27-19)21-16-7-9-17(10-8-16)28(25,26)23-12-1-2-13-23/h4,6-10,14,18H,1-3,5,11-13,15H2,(H,21,24)/t18-/m1/s1
InChIKeyMYDVYHQJMUZEIZ-GOSISDBHSA-N
XLogP3.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 8539041
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124834514
N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 30101437
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 55409696
N-(3-chloro-4-cyanophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9445827
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9171301
N-(2,3-dimethylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446369
N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
CID 53347816

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (CID 9166137) is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is MYDVYHQJMUZEIZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c24-20(15-22-11-3-5-18(22)19-6-4-14-27-19)21-16-7-9-17(10-8-16)28(25,26)23-12-1-2-13-23/h4,6-10,14,18H,1-3,5,11-13,15H2,(H,21,24)/t18-/m1/s1.
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 9166137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).