N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide

C22H18Cl2N2O2S — CID 22781798

IUPACN-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
SMILESCC(Sc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H18Cl2N2O2S/c1-14(21(27)25-16-5-3-2-4-6-16)29-18-10-8-17(9-11-18)26-22(28)19-12-7-15(23)13-20(19)24/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyZPVXRARHQJGRMA-UHFFFAOYSA-N
MW445.37 g/mol
LogP6.36
Rot. Bonds6

About N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide

N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide (PubChem CID 22781798) has the molecular formula C22H18Cl2N2O2S and a molecular weight of 445.37 g/mol. Its IUPAC name is N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
PubChem CID22781798
Molecular FormulaC22H18Cl2N2O2S
Molecular Weight445.37 g/mol
Exact Mass444.05
IUPAC NameN-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
SMILESCC(Sc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H18Cl2N2O2S/c1-14(21(27)25-16-5-3-2-4-6-16)29-18-10-8-17(9-11-18)26-22(28)19-12-7-15(23)13-20(19)24/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyZPVXRARHQJGRMA-UHFFFAOYSA-N
XLogP6.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.37
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 21170590
2,4-dichloro-N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 18902134
2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18902089
2,4-dichloro-N-[4-[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 21170731
2,4-dichloro-N-[4-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21169072
4-[[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 22785836
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2,4-dichloro-N-[3-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18902141
2,3,4,5-tetrachloro-6-[[4-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785408
2-[[4-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785218
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide (CID 22781798) is N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide is CC(Sc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide?
The InChIKey is ZPVXRARHQJGRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2S/c1-14(21(27)25-16-5-3-2-4-6-16)29-18-10-8-17(9-11-18)26-22(28)19-12-7-15(23)13-20(19)24/h2-14H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide?
N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide has a molecular weight of 445.37 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 22781798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).