N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide

C20H23Cl2N3OS — CID 10502430

IUPACN-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H23Cl2N3OS/c1-24-10-12-25(13-11-24)9-8-20(26)23-17-4-2-3-5-19(17)27-18-7-6-15(21)14-16(18)22/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyZXMPAZXJAWNPKV-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.72
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide

N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 10502430) has the molecular formula C20H23Cl2N3OS and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID10502430
Molecular FormulaC20H23Cl2N3OS
Molecular Weight424.40 g/mol
Exact Mass423.09
IUPAC NameN-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H23Cl2N3OS/c1-24-10-12-25(13-11-24)9-8-20(26)23-17-4-2-3-5-19(17)27-18-7-6-15(21)14-16(18)22/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyZXMPAZXJAWNPKV-UHFFFAOYSA-N
XLogP4.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 10502430) is N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is ZXMPAZXJAWNPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3OS/c1-24-10-12-25(13-11-24)9-8-20(26)23-17-4-2-3-5-19(17)27-18-7-6-15(21)14-16(18)22/h2-7,14H,8-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 424.40 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 10502430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).