N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

C20H16Cl2N2O2S2 — CID 18906129

IUPACN-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H16Cl2N2O2S2/c1-12(19(25)24-17-10-13(21)7-8-16(17)22)28-15-5-2-4-14(11-15)23-20(26)18-6-3-9-27-18/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyDCJFXNWSNWUVMO-UHFFFAOYSA-N
MW451.40 g/mol
LogP6.43
Rot. Bonds6

About N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 18906129) has the molecular formula C20H16Cl2N2O2S2 and a molecular weight of 451.40 g/mol. Its IUPAC name is N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID18906129
Molecular FormulaC20H16Cl2N2O2S2
Molecular Weight451.40 g/mol
Exact Mass450.00
IUPAC NameN-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H16Cl2N2O2S2/c1-12(19(25)24-17-10-13(21)7-8-16(17)22)28-15-5-2-4-14(11-15)23-20(26)18-6-3-9-27-18/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyDCJFXNWSNWUVMO-UHFFFAOYSA-N
XLogP6.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906417
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 18904113
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908145
N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 22776740
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
N-[3-[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906162
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907569
N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298748
N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906175
N-[(E)-1-(4-chlorophenyl)-3-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19305898
N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23101325
N-(2,5-dichlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23098743

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide (CID 18906129) is N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide is CC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is DCJFXNWSNWUVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2S2/c1-12(19(25)24-17-10-13(21)7-8-16(17)22)28-15-5-2-4-14(11-15)23-20(26)18-6-3-9-27-18/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 451.40 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18906129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).