N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C13H18N2O3S — CID 115775171

IUPACN-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(CCO)C1)c1cccs1
InChIInChI=1S/C13H18N2O3S/c16-6-4-10-3-5-15(9-10)12(17)8-14-13(18)11-2-1-7-19-11/h1-2,7,10,16H,3-6,8-9H2,(H,14,18)
InChIKeyBKPLZFCIPMYEJA-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.71
Rot. Bonds5

About N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 115775171) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID115775171
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(CCO)C1)c1cccs1
InChIInChI=1S/C13H18N2O3S/c16-6-4-10-3-5-15(9-10)12(17)8-14-13(18)11-2-1-7-19-11/h1-2,7,10,16H,3-6,8-9H2,(H,14,18)
InChIKeyBKPLZFCIPMYEJA-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 115775139
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 81208598
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 43390914
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide
CID 124607970
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 115775171) is N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCC(CCO)C1)c1cccs1.
What is the InChIKey of N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is BKPLZFCIPMYEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-6-4-10-3-5-15(9-10)12(17)8-14-13(18)11-2-1-7-19-11/h1-2,7,10,16H,3-6,8-9H2,(H,14,18).
What are the key properties of N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 115775171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).