4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide

C15H20F2N2OS — CID 118432899

IUPAC4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N
InChIInChI=1S/C15H20F2N2OS/c1-8-10(11-6-12(11)18)7-13(21-8)14(20)19-9-2-4-15(16,17)5-3-9/h7,9,11-12H,2-6,18H2,1H3,(H,19,20)
InChIKeyPYOLFXFNPNHRDP-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.18
Rot. Bonds3

About 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide

4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide (PubChem CID 118432899) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
PubChem CID118432899
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N
InChIInChI=1S/C15H20F2N2OS/c1-8-10(11-6-12(11)18)7-13(21-8)14(20)19-9-2-4-15(16,17)5-3-9/h7,9,11-12H,2-6,18H2,1H3,(H,19,20)
InChIKeyPYOLFXFNPNHRDP-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023817
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N-(2,3-dimethylcyclohexyl)-2-thienylcarboxamide
CID 4072672

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide (CID 118432899) is 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1N.
What is the InChIKey of 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide?
The InChIKey is PYOLFXFNPNHRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-8-10(11-6-12(11)18)7-13(21-8)14(20)19-9-2-4-15(16,17)5-3-9/h7,9,11-12H,2-6,18H2,1H3,(H,19,20).
What are the key properties of 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide?
4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide has a molecular weight of 314.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 118432899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).