N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

C19H21FN2O2S — CID 1433194

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)s1
InChIInChI=1S/C19H21FN2O2S/c1-13-6-11-17(25-13)19(24)22(16-9-7-14(20)8-10-16)12-18(23)21-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,21,23)
InChIKeyAKDMVDYDNUVSQY-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.90
Rot. Bonds5

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 1433194) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
PubChem CID1433194
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)s1
InChIInChI=1S/C19H21FN2O2S/c1-13-6-11-17(25-13)19(24)22(16-9-7-14(20)8-10-16)12-18(23)21-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,21,23)
InChIKeyAKDMVDYDNUVSQY-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (CID 1433194) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is AKDMVDYDNUVSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13-6-11-17(25-13)19(24)22(16-9-7-14(20)8-10-16)12-18(23)21-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 1433194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).