N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide

C13H12ClNOS2 — CID 60646137

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1cccs1
InChIInChI=1S/C13H12ClNOS2/c1-2-7-15(9-10-5-6-12(14)18-10)13(16)11-4-3-8-17-11/h2-6,8H,1,7,9H2
InChIKeyRVFZSVIFJGYDTB-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.29
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 60646137) has the molecular formula C13H12ClNOS2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID60646137
Molecular FormulaC13H12ClNOS2
Molecular Weight297.83 g/mol
Exact Mass297.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1cccs1
InChIInChI=1S/C13H12ClNOS2/c1-2-7-15(9-10-5-6-12(14)18-10)13(16)11-4-3-8-17-11/h2-6,8H,1,7,9H2
InChIKeyRVFZSVIFJGYDTB-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-N-prop-2-enyl-1H-pyridine-2-carboxamide
CID 107362754
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 60646068
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 62045486
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 25237569
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbenzamide
CID 107982446
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide
CID 66482946
3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324441

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide (CID 60646137) is N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide is C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccs1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is RVFZSVIFJGYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS2/c1-2-7-15(9-10-5-6-12(14)18-10)13(16)11-4-3-8-17-11/h2-6,8H,1,7,9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 60646137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).