5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide

C15H20F2N2OS — CID 118432740

IUPAC5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
SMILESCc1sc([C@@H]2C[C@H]2N)cc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2N2OS/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9/h7,9,11-12H,2-6,18H2,1H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyWXEFQZVNRJWYCK-VXGBXAGGSA-N
MW314.40 g/mol
LogP3.18
Rot. Bonds3

About 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide

5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide (PubChem CID 118432740) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
PubChem CID118432740
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
SMILESCc1sc([C@@H]2C[C@H]2N)cc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2N2OS/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9/h7,9,11-12H,2-6,18H2,1H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyWXEFQZVNRJWYCK-VXGBXAGGSA-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
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
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide?
The IUPAC name of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide (CID 118432740) is 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide?
The canonical SMILES for 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide is Cc1sc([C@@H]2C[C@H]2N)cc1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide?
The InChIKey is WXEFQZVNRJWYCK-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-8-10(7-13(21-8)11-6-12(11)18)14(20)19-9-2-4-15(16,17)5-3-9/h7,9,11-12H,2-6,18H2,1H3,(H,19,20)/t11-,12-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide?
5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-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 5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide is sourced from PubChem (CID 118432740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).