N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C19H25N3O4S2 — CID 24571411

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCC(C)C(NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cccs1
InChIInChI=1S/C19H25N3O4S2/c1-14(2)19(16-6-5-11-27-16)20-17(23)13-21-12-15(7-8-18(21)24)28(25,26)22-9-3-4-10-22/h5-8,11-12,14,19H,3-4,9-10,13H2,1-2H3,(H,20,23)
InChIKeyNEWAJXOFUFBQMX-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.21
Rot. Bonds7

About N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 24571411) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID24571411
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCC(C)C(NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cccs1
InChIInChI=1S/C19H25N3O4S2/c1-14(2)19(16-6-5-11-27-16)20-17(23)13-21-12-15(7-8-18(21)24)28(25,26)22-9-3-4-10-22/h5-8,11-12,14,19H,3-4,9-10,13H2,1-2H3,(H,20,23)
InChIKeyNEWAJXOFUFBQMX-UHFFFAOYSA-N
XLogP2.21
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
CID 41167304
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 36799965
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 53170636
N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
N-(4-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170608
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53170639

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 24571411) is N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is CC(C)C(NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is NEWAJXOFUFBQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-14(2)19(16-6-5-11-27-16)20-17(23)13-21-12-15(7-8-18(21)24)28(25,26)22-9-3-4-10-22/h5-8,11-12,14,19H,3-4,9-10,13H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 24571411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).