N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide

C8H9ClN2O2S — CID 123814262

IUPACN-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide
SMILESNC(=O)CCNC(=O)c1ccsc1Cl
InChIInChI=1S/C8H9ClN2O2S/c9-7-5(2-4-14-7)8(13)11-3-1-6(10)12/h2,4H,1,3H2,(H2,10,12)(H,11,13)
InChIKeyVOCFOLNJGUDKDA-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.01
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide

N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide (PubChem CID 123814262) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide
PubChem CID123814262
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC NameN-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide
SMILESNC(=O)CCNC(=O)c1ccsc1Cl
InChIInChI=1S/C8H9ClN2O2S/c9-7-5(2-4-14-7)8(13)11-3-1-6(10)12/h2,4H,1,3H2,(H2,10,12)(H,11,13)
InChIKeyVOCFOLNJGUDKDA-UHFFFAOYSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide (CID 123814262) is N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide is NC(=O)CCNC(=O)c1ccsc1Cl.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide?
The InChIKey is VOCFOLNJGUDKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-7-5(2-4-14-7)8(13)11-3-1-6(10)12/h2,4H,1,3H2,(H2,10,12)(H,11,13).
What are the key properties of N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide?
N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide has a molecular weight of 232.69 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-chlorothiophene-3-carboxamide is sourced from PubChem (CID 123814262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).