N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide

C17H17Cl2NO3S — CID 23804473

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCOc1cc(OC)c(NC(=O)CCSc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H17Cl2NO3S/c1-22-15-10-16(23-2)14(9-13(15)19)20-17(21)7-8-24-12-5-3-11(18)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyHWSAYMLAPIAGKE-UHFFFAOYSA-N
MW386.30 g/mol
LogP5.13
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 23804473) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID23804473
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCOc1cc(OC)c(NC(=O)CCSc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H17Cl2NO3S/c1-22-15-10-16(23-2)14(9-13(15)19)20-17(21)7-8-24-12-5-3-11(18)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyHWSAYMLAPIAGKE-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.30
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840796
methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519103
3-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483295
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24567551

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide (CID 23804473) is N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide is COc1cc(OC)c(NC(=O)CCSc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is HWSAYMLAPIAGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-22-15-10-16(23-2)14(9-13(15)19)20-17(21)7-8-24-12-5-3-11(18)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 386.30 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 23804473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).