2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide

C18H28ClN3OS — CID 86823651

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(CNC(=O)C(C)Sc1ccc(Cl)cc1)CN1CCN(C)CC1
InChIInChI=1S/C18H28ClN3OS/c1-14(13-22-10-8-21(3)9-11-22)12-20-18(23)15(2)24-17-6-4-16(19)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,20,23)
InChIKeyNLZHELLLORSPDE-UHFFFAOYSA-N
MW369.96 g/mol
LogP2.82
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 86823651) has the molecular formula C18H28ClN3OS and a molecular weight of 369.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID86823651
Molecular FormulaC18H28ClN3OS
Molecular Weight369.96 g/mol
Exact Mass369.16
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(CNC(=O)C(C)Sc1ccc(Cl)cc1)CN1CCN(C)CC1
InChIInChI=1S/C18H28ClN3OS/c1-14(13-22-10-8-21(3)9-11-22)12-20-18(23)15(2)24-17-6-4-16(19)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,20,23)
InChIKeyNLZHELLLORSPDE-UHFFFAOYSA-N
XLogP2.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.96
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 29132971
3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95580603
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
2-(4-chlorophenyl)sulfanyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 55378447
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 99952119
3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methoxypropanoic acid
CID 106107383
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
3,4-difluoro-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 95976798
2-(4-methylphenyl)sulfanyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]propanamide
CID 131919326
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 18163880
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 86823651) is 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide is CC(CNC(=O)C(C)Sc1ccc(Cl)cc1)CN1CCN(C)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is NLZHELLLORSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3OS/c1-14(13-22-10-8-21(3)9-11-22)12-20-18(23)15(2)24-17-6-4-16(19)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,20,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 369.96 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 86823651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).