N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide

C18H15Cl2N3OS — CID 19542004

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3OS/c19-13-5-7-15(8-6-13)25-17-4-2-1-3-16(17)22-18(24)9-10-23-12-14(20)11-21-23/h1-8,11-12H,9-10H2,(H,22,24)
InChIKeyAEVLKCCUWPOTCU-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.37
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide (PubChem CID 19542004) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide
PubChem CID19542004
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3OS/c19-13-5-7-15(8-6-13)25-17-4-2-1-3-16(17)22-18(24)9-10-23-12-14(20)11-21-23/h1-8,11-12H,9-10H2,(H,22,24)
InChIKeyAEVLKCCUWPOTCU-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19552278
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19584490
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444194
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4153660
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 5233038
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3886099
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4858269
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19264116
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19525421
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551552

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide (CID 19542004) is N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide is O=C(CCn1cc(Cl)cn1)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is AEVLKCCUWPOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c19-13-5-7-15(8-6-13)25-17-4-2-1-3-16(17)22-18(24)9-10-23-12-14(20)11-21-23/h1-8,11-12H,9-10H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 392.31 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 19542004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).