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

C19H18ClN3OS — CID 19584490

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H18ClN3OS/c1-13-11-21-23(12-13)14(2)19(24)22-17-5-3-4-6-18(17)25-16-9-7-15(20)8-10-16/h3-12,14H,1-2H3,(H,22,24)
InChIKeyNPZIKKKXEPIGSA-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.20
Rot. Bonds5

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

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide (PubChem CID 19584490) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
PubChem CID19584490
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H18ClN3OS/c1-13-11-21-23(12-13)14(2)19(24)22-17-5-3-4-6-18(17)25-16-9-7-15(20)8-10-16/h3-12,14H,1-2H3,(H,22,24)
InChIKeyNPZIKKKXEPIGSA-UHFFFAOYSA-N
XLogP5.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19534326
2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide
CID 19535361
N-(2-cyanophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534474
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551552
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19528443
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534314
N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542004
N-(2,6-dimethylphenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534343
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19264116
2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19534387
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534489

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide (CID 19584490) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(C(C)C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is NPZIKKKXEPIGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-13-11-21-23(12-13)14(2)19(24)22-17-5-3-4-6-18(17)25-16-9-7-15(20)8-10-16/h3-12,14H,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 371.89 g/mol, XLogP of 5.20, 5 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]-2-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19584490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).