N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C17H16ClFN2O2S — CID 139011538

IUPACN-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)s1
InChIInChI=1S/C17H16ClFN2O2S/c1-9-5-6-14(24-9)17(23)20-8-15(22)21-13-7-10(13)16-11(18)3-2-4-12(16)19/h2-6,10,13H,7-8H2,1H3,(H,20,23)(H,21,22)/t10-,13-/m1/s1
InChIKeyNYSLFIXNHKNKFR-ZWNOBZJWSA-N
MW366.85 g/mol
LogP3.25
Rot. Bonds5

About N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 139011538) has the molecular formula C17H16ClFN2O2S and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID139011538
Molecular FormulaC17H16ClFN2O2S
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC NameN-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)s1
InChIInChI=1S/C17H16ClFN2O2S/c1-9-5-6-14(24-9)17(23)20-8-15(22)21-13-7-10(13)16-11(18)3-2-4-12(16)19/h2-6,10,13H,7-8H2,1H3,(H,20,23)(H,21,22)/t10-,13-/m1/s1
InChIKeyNYSLFIXNHKNKFR-ZWNOBZJWSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 139011538) is N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)s1.
What is the InChIKey of N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is NYSLFIXNHKNKFR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S/c1-9-5-6-14(24-9)17(23)20-8-15(22)21-13-7-10(13)16-11(18)3-2-4-12(16)19/h2-6,10,13H,7-8H2,1H3,(H,20,23)(H,21,22)/t10-,13-/m1/s1.
What are the key properties of N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 139011538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).