N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide

C13H14ClNO2S — CID 134040981

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1occc1C
InChIInChI=1S/C13H14ClNO2S/c1-3-15(8-10-4-5-11(14)18-10)13(16)12-9(2)6-7-17-12/h4-7H,3,8H2,1-2H3
InChIKeyHKRBTWYBJOKVNC-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.97
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide (PubChem CID 134040981) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
PubChem CID134040981
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1occc1C
InChIInChI=1S/C13H14ClNO2S/c1-3-15(8-10-4-5-11(14)18-10)13(16)12-9(2)6-7-17-12/h4-7H,3,8H2,1-2H3
InChIKeyHKRBTWYBJOKVNC-UHFFFAOYSA-N
XLogP3.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
CID 47125656
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120618102
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 39911714
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide
CID 55208450
N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide
CID 24655700
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylfuran-2-carboxamide
CID 134041307
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide (CID 134040981) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1occc1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide?
The InChIKey is HKRBTWYBJOKVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-3-15(8-10-4-5-11(14)18-10)13(16)12-9(2)6-7-17-12/h4-7H,3,8H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide has a molecular weight of 283.78 g/mol, XLogP of 3.97, 4 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-ethyl-3-methylfuran-2-carboxamide is sourced from PubChem (CID 134040981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).