N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide

C25H18Cl2N2O2S2 — CID 23101325

IUPACN-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SC(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C25H18Cl2N2O2S2/c26-17-8-13-20(27)21(15-17)29-25(31)23(16-5-2-1-3-6-16)33-19-11-9-18(10-12-19)28-24(30)22-7-4-14-32-22/h1-15,23H,(H,28,30)(H,29,31)
InChIKeyRAAVKDWBQGNJFC-UHFFFAOYSA-N
MW513.47 g/mol
LogP7.78
Rot. Bonds7

About N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 23101325) has the molecular formula C25H18Cl2N2O2S2 and a molecular weight of 513.47 g/mol. Its IUPAC name is N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID23101325
Molecular FormulaC25H18Cl2N2O2S2
Molecular Weight513.47 g/mol
Exact Mass512.02
IUPAC NameN-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SC(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C25H18Cl2N2O2S2/c26-17-8-13-20(27)21(15-17)29-25(31)23(16-5-2-1-3-6-16)33-19-11-9-18(10-12-19)28-24(30)22-7-4-14-32-22/h1-15,23H,(H,28,30)(H,29,31)
InChIKeyRAAVKDWBQGNJFC-UHFFFAOYSA-N
XLogP7.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23099768
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CID 19712860
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23100908
N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906343
8-[[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786606
2,4-dichloro-N-[4-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21169072
N-[(Z)-3-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 22188869
N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22781894
N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906340
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22782420
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906129
N-[3-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 23101325) is N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide is O=C(Nc1ccc(SC(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1)c1cccs1.
What is the InChIKey of N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is RAAVKDWBQGNJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O2S2/c26-17-8-13-20(27)21(15-17)29-25(31)23(16-5-2-1-3-6-16)33-19-11-9-18(10-12-19)28-24(30)22-7-4-14-32-22/h1-15,23H,(H,28,30)(H,29,31).
What are the key properties of N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 513.47 g/mol, XLogP of 7.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23101325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).