N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide

C18H21FN2OS — CID 119477809

IUPACN-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCC(N)CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-11-10-16(18(22)21-15-8-6-14(20)7-9-15)23-17(11)12-2-4-13(19)5-3-12/h2-5,10,14-15H,6-9,20H2,1H3,(H,21,22)
InChIKeyULLNSPKGSGRNHF-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.86
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide

N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 119477809) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide
PubChem CID119477809
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCC(N)CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-11-10-16(18(22)21-15-8-6-14(20)7-9-15)23-17(11)12-2-4-13(19)5-3-12/h2-5,10,14-15H,6-9,20H2,1H3,(H,21,22)
InChIKeyULLNSPKGSGRNHF-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide (CID 119477809) is N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCC(N)CC2)sc1-c1ccc(F)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is ULLNSPKGSGRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-11-10-16(18(22)21-15-8-6-14(20)7-9-15)23-17(11)12-2-4-13(19)5-3-12/h2-5,10,14-15H,6-9,20H2,1H3,(H,21,22).
What are the key properties of N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide?
N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 119477809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).