N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C19H27N3O4S — CID 45219855

IUPACN-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(C2CCCN2C(=O)CN2CCOC2=O)s1
InChIInChI=1S/C19H27N3O4S/c1-4-19(2,3)20-17(24)15-8-7-14(27-15)13-6-5-9-22(13)16(23)12-21-10-11-26-18(21)25/h7-8,13H,4-6,9-12H2,1-3H3,(H,20,24)
InChIKeyVQBKOCHLHVPZSN-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.78
Rot. Bonds6

About N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide

N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45219855) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45219855
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(C2CCCN2C(=O)CN2CCOC2=O)s1
InChIInChI=1S/C19H27N3O4S/c1-4-19(2,3)20-17(24)15-8-7-14(27-15)13-6-5-9-22(13)16(23)12-21-10-11-26-18(21)25/h7-8,13H,4-6,9-12H2,1-3H3,(H,20,24)
InChIKeyVQBKOCHLHVPZSN-UHFFFAOYSA-N
XLogP2.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
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CID 72915818
3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 96577519
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
5-[(2S)-1-propanoylpyrrolidin-2-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 92556707
N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide
CID 28642143
5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
CID 45202930
3-cyclohexyl-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-1-one
CID 86952952
3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 94599769
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
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5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 29056960
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45219855) is N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide is CCC(C)(C)NC(=O)c1ccc(C2CCCN2C(=O)CN2CCOC2=O)s1.
What is the InChIKey of N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is VQBKOCHLHVPZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-4-19(2,3)20-17(24)15-8-7-14(27-15)13-6-5-9-22(13)16(23)12-21-10-11-26-18(21)25/h7-8,13H,4-6,9-12H2,1-3H3,(H,20,24).
What are the key properties of N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45219855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).