N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide

C19H22FNOS — CID 56517770

IUPACN-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCC1
InChIInChI=1S/C19H22FNOS/c1-13(2)21(16-5-3-4-6-16)19(22)18-12-11-17(23-18)14-7-9-15(20)10-8-14/h7-13,16H,3-6H2,1-2H3
InChIKeyLXJACZBVHBXEDZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.35
Rot. Bonds4

About N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide

N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 56517770) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID56517770
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC NameN-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCC1
InChIInChI=1S/C19H22FNOS/c1-13(2)21(16-5-3-4-6-16)19(22)18-12-11-17(23-18)14-7-9-15(20)10-8-14/h7-13,16H,3-6H2,1-2H3
InChIKeyLXJACZBVHBXEDZ-UHFFFAOYSA-N
XLogP5.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide (CID 56517770) is N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is LXJACZBVHBXEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-13(2)21(16-5-3-4-6-16)19(22)18-12-11-17(23-18)14-7-9-15(20)10-8-14/h7-13,16H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide?
N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 56517770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).