N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide

C22H19Cl2N3O2S — CID 19712386

IUPACN-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C22H19Cl2N3O2S/c1-14(21(28)27-19-9-5-8-18(23)20(19)24)30-17-12-10-16(11-13-17)26-22(29)25-15-6-3-2-4-7-15/h2-14H,1H3,(H,27,28)(H2,25,26,29)
InChIKeyWYTRMKXJIKQSJF-UHFFFAOYSA-N
MW460.39 g/mol
LogP6.76
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide

N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide (PubChem CID 19712386) has the molecular formula C22H19Cl2N3O2S and a molecular weight of 460.39 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
PubChem CID19712386
Molecular FormulaC22H19Cl2N3O2S
Molecular Weight460.39 g/mol
Exact Mass459.06
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C22H19Cl2N3O2S/c1-14(21(28)27-19-9-5-8-18(23)20(19)24)30-17-12-10-16(11-13-17)26-22(29)25-15-6-3-2-4-7-15/h2-14H,1H3,(H,27,28)(H2,25,26,29)
InChIKeyWYTRMKXJIKQSJF-UHFFFAOYSA-N
XLogP6.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.39
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 22786254
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-(2,3-dichlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316264
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-[(Z)-3-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 21386239
N-[(Z)-3-[4-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-1-(2,3-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 21384762
1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea
CID 57150049
N-[4-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22778942

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide (CID 19712386) is N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide is CC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide?
The InChIKey is WYTRMKXJIKQSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2S/c1-14(21(28)27-19-9-5-8-18(23)20(19)24)30-17-12-10-16(11-13-17)26-22(29)25-15-6-3-2-4-7-15/h2-14H,1H3,(H,27,28)(H2,25,26,29).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide?
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide has a molecular weight of 460.39 g/mol, XLogP of 6.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide is sourced from PubChem (CID 19712386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).