N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide

C15H22N2O3S — CID 115775139

IUPACN-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCC(CCO)C1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c18-9-6-12-5-8-17(11-12)14(19)4-1-7-16-15(20)13-3-2-10-21-13/h2-3,10,12,18H,1,4-9,11H2,(H,16,20)
InChIKeyQZVPQGDFMIGTKF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.49
Rot. Bonds7

About N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 115775139) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID115775139
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCC(CCO)C1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c18-9-6-12-5-8-17(11-12)14(19)4-1-7-16-15(20)13-3-2-10-21-13/h2-3,10,12,18H,1,4-9,11H2,(H,16,20)
InChIKeyQZVPQGDFMIGTKF-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 115775171
2-[1-[4-(thiophene-2-carbonylamino)butanoyl]azetidin-3-yl]acetic acid
CID 64605815
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 49407863
N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 55826913
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride
CID 120998048
N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131947637
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide (CID 115775139) is N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide is O=C(NCCCC(=O)N1CCC(CCO)C1)c1cccs1.
What is the InChIKey of N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is QZVPQGDFMIGTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-9-6-12-5-8-17(11-12)14(19)4-1-7-16-15(20)13-3-2-10-21-13/h2-3,10,12,18H,1,4-9,11H2,(H,16,20).
What are the key properties of N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 115775139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).