5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane

C11H14ClNOS — CID 143722959

IUPAC5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
SMILESC#CCNC(=O)c1ccc(Cl)s1.CCC
InChIInChI=1S/C8H6ClNOS.C3H8/c1-2-5-10-8(11)6-3-4-7(9)12-6;1-3-2/h1,3-4H,5H2,(H,10,11);3H2,1-2H3
InChIKeyHOIONWAMRZXVQM-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.18
Rot. Bonds2

About 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane

5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane (PubChem CID 143722959) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane.

Molecular Properties

Compound Name5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
PubChem CID143722959
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
SMILESC#CCNC(=O)c1ccc(Cl)s1.CCC
InChIInChI=1S/C8H6ClNOS.C3H8/c1-2-5-10-8(11)6-3-4-7(9)12-6;1-3-2/h1,3-4H,5H2,(H,10,11);3H2,1-2H3
InChIKeyHOIONWAMRZXVQM-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-prop-2-ynylthiophene-2-carboxamide
CID 82505267
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117523
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane?
The IUPAC name of 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane (CID 143722959) is 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane.
What is the SMILES notation for 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane?
The canonical SMILES for 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane is C#CCNC(=O)c1ccc(Cl)s1.CCC.
What is the InChIKey of 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane?
The InChIKey is HOIONWAMRZXVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS.C3H8/c1-2-5-10-8(11)6-3-4-7(9)12-6;1-3-2/h1,3-4H,5H2,(H,10,11);3H2,1-2H3.
What are the key properties of 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane?
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane has a molecular weight of 243.76 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane is sourced from PubChem (CID 143722959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).