N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide

C20H17FN2O2S — CID 1324863

IUPACN-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-13-4-6-14(7-5-13)18(24)19(22-16-10-8-15(21)9-11-16)23-20(25)17-3-2-12-26-17/h2-12,19,22H,1H3,(H,23,25)/t19-/m1/s1
InChIKeyAPVKGOORBCRCNB-LJQANCHMSA-N
MW368.43 g/mol
LogP4.25
Rot. Bonds6

About N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide

N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 1324863) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID1324863
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-13-4-6-14(7-5-13)18(24)19(22-16-10-8-15(21)9-11-16)23-20(25)17-3-2-12-26-17/h2-12,19,22H,1H3,(H,23,25)/t19-/m1/s1
InChIKeyAPVKGOORBCRCNB-LJQANCHMSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 985107
N-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890
N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 34311100
N-[1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 44615435
N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 1000427
N-[(1S)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]thiophene-2-carboxamide
CID 98173582
N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 35180599
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
CID 7470378
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 4526208
N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348306

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide (CID 1324863) is N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is APVKGOORBCRCNB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-13-4-6-14(7-5-13)18(24)19(22-16-10-8-15(21)9-11-16)23-20(25)17-3-2-12-26-17/h2-12,19,22H,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide?
N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 1324863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).