N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C20H18FN3O4S2 — CID 32954528

IUPACN-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)ccc1F
InChIInChI=1S/C20H18FN3O4S2/c1-30(27,28)24-16-12-14(9-10-15(16)21)22-20(26)18(13-6-3-2-4-7-13)23-19(25)17-8-5-11-29-17/h2-12,18,24H,1H3,(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyZHMUAHKSSQKZFA-GOSISDBHSA-N
MW447.51 g/mol
LogP3.37
Rot. Bonds7

About N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 32954528) has the molecular formula C20H18FN3O4S2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID32954528
Molecular FormulaC20H18FN3O4S2
Molecular Weight447.51 g/mol
Exact Mass447.07
IUPAC NameN-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)ccc1F
InChIInChI=1S/C20H18FN3O4S2/c1-30(27,28)24-16-12-14(9-10-15(16)21)22-20(26)18(13-6-3-2-4-7-13)23-19(25)17-8-5-11-29-17/h2-12,18,24H,1H3,(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyZHMUAHKSSQKZFA-GOSISDBHSA-N
XLogP3.37
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653835
N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653858
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 60727246
N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 42944393
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42917748
2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 42959453

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 32954528) is N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)ccc1F.
What is the InChIKey of N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is ZHMUAHKSSQKZFA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18FN3O4S2/c1-30(27,28)24-16-12-14(9-10-15(16)21)22-20(26)18(13-6-3-2-4-7-13)23-19(25)17-8-5-11-29-17/h2-12,18,24H,1H3,(H,22,26)(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 32954528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).