N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

C18H22ClNO2S — CID 55445854

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C18H22ClNO2S/c1-3-20(11-14-6-8-17(19)23-14)18(21)9-5-13-4-7-16(22-13)15-10-12(15)2/h4,6-8,12,15H,3,5,9-11H2,1-2H3
InChIKeyLRWHXKRTGNSUHQ-UHFFFAOYSA-N
MW351.90 g/mol
LogP5.10
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 55445854) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID55445854
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C18H22ClNO2S/c1-3-20(11-14-6-8-17(19)23-14)18(21)9-5-13-4-7-16(22-13)15-10-12(15)2/h4,6-8,12,15H,3,5,9-11H2,1-2H3
InChIKeyLRWHXKRTGNSUHQ-UHFFFAOYSA-N
XLogP5.10
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.90
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 55445854) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is CCN(Cc1ccc(Cl)s1)C(=O)CCc1ccc(C2CC2C)o1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is LRWHXKRTGNSUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2S/c1-3-20(11-14-6-8-17(19)23-14)18(21)9-5-13-4-7-16(22-13)15-10-12(15)2/h4,6-8,12,15H,3,5,9-11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 351.90 g/mol, XLogP of 5.10, 7 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-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 55445854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).