N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide

C19H15BrN2O2S — CID 985107

IUPACN-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C19H15BrN2O2S/c20-14-8-10-15(11-9-14)21-18(17(23)13-5-2-1-3-6-13)22-19(24)16-7-4-12-25-16/h1-12,18,21H,(H,22,24)/t18-/m0/s1
InChIKeyXBAIFYWOFPYBPX-SFHVURJKSA-N
MW415.31 g/mol
LogP4.56
Rot. Bonds6

About N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide

N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide (PubChem CID 985107) has the molecular formula C19H15BrN2O2S and a molecular weight of 415.31 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
PubChem CID985107
Molecular FormulaC19H15BrN2O2S
Molecular Weight415.31 g/mol
Exact Mass414.00
IUPAC NameN-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C19H15BrN2O2S/c20-14-8-10-15(11-9-14)21-18(17(23)13-5-2-1-3-6-13)22-19(24)16-7-4-12-25-16/h1-12,18,21H,(H,22,24)/t18-/m0/s1
InChIKeyXBAIFYWOFPYBPX-SFHVURJKSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 54.56
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-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 1000427
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890
N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 1324863
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
CID 7470378
N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 4526208
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
N-[1-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109877
N-[1-(3-chloro-4-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 2918908
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 805573
N-[1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 44615435

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide (CID 985107) is N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide is O=C(N[C@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The InChIKey is XBAIFYWOFPYBPX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15BrN2O2S/c20-14-8-10-15(11-9-14)21-18(17(23)13-5-2-1-3-6-13)22-19(24)16-7-4-12-25-16/h1-12,18,21H,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide has a molecular weight of 415.31 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 985107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).