1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide

C14H18N2OS — CID 103752414

IUPAC1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
SMILESCCc1ccc(CNC(=O)C2(C#N)CC(C)C2)s1
InChIInChI=1S/C14H18N2OS/c1-3-11-4-5-12(18-11)8-16-13(17)14(9-15)6-10(2)7-14/h4-5,10H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyNXEBTOOOBWROOS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.87
Rot. Bonds4

About 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide

1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 103752414) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
PubChem CID103752414
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
SMILESCCc1ccc(CNC(=O)C2(C#N)CC(C)C2)s1
InChIInChI=1S/C14H18N2OS/c1-3-11-4-5-12(18-11)8-16-13(17)14(9-15)6-10(2)7-14/h4-5,10H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyNXEBTOOOBWROOS-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-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-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
N-[(5-ethylthiophen-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907354
N-(2-chloroprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693600
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
6-[(5-ethylthiophen-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103822739
1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 80501020
1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 113345657
2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106005548
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 106011910
1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65400247
N-[(2S)-2-(4-chlorophenoxy)propyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 96540222

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide (CID 103752414) is 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide is CCc1ccc(CNC(=O)C2(C#N)CC(C)C2)s1.
What is the InChIKey of 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is NXEBTOOOBWROOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-11-4-5-12(18-11)8-16-13(17)14(9-15)6-10(2)7-14/h4-5,10H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide?
1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 103752414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).