N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C19H16FNOS2 — CID 46546636

IUPACN-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(-c2ccccc2F)s1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C19H16FNOS2/c20-16-6-2-1-5-15(16)17-9-10-18(24-17)19(22)21(13-7-8-13)12-14-4-3-11-23-14/h1-6,9-11,13H,7-8,12H2
InChIKeyOJPBQABLPQQEQV-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.42
Rot. Bonds5

About N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 46546636) has the molecular formula C19H16FNOS2 and a molecular weight of 357.48 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID46546636
Molecular FormulaC19H16FNOS2
Molecular Weight357.48 g/mol
Exact Mass357.07
IUPAC NameN-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(-c2ccccc2F)s1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C19H16FNOS2/c20-16-6-2-1-5-15(16)17-9-10-18(24-17)19(22)21(13-7-8-13)12-14-4-3-11-23-14/h1-6,9-11,13H,7-8,12H2
InChIKeyOJPBQABLPQQEQV-UHFFFAOYSA-N
XLogP5.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 46546636) is N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is O=C(c1ccc(-c2ccccc2F)s1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is OJPBQABLPQQEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS2/c20-16-6-2-1-5-15(16)17-9-10-18(24-17)19(22)21(13-7-8-13)12-14-4-3-11-23-14/h1-6,9-11,13H,7-8,12H2.
What are the key properties of N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46546636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).