(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide

C18H25N3OS — CID 97204222

IUPAC(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)N[C@H](C)c1csc2ccccc12)N1CCN(C)CC1
InChIInChI=1S/C18H25N3OS/c1-13(16-12-23-17-7-5-4-6-15(16)17)19-18(22)14(2)21-10-8-20(3)9-11-21/h4-7,12-14H,8-11H2,1-3H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyDIHLMHUDZXKMGA-ZIAGYGMSSA-N
MW331.49 g/mol
LogP2.71
Rot. Bonds4

About (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide

(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 97204222) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID97204222
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)N[C@H](C)c1csc2ccccc12)N1CCN(C)CC1
InChIInChI=1S/C18H25N3OS/c1-13(16-12-23-17-7-5-4-6-15(16)17)19-18(22)14(2)21-10-8-20(3)9-11-21/h4-7,12-14H,8-11H2,1-3H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyDIHLMHUDZXKMGA-ZIAGYGMSSA-N
XLogP2.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-benzothiophen-3-yl)ethyl]prop-2-enamide
CID 139021172
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 154834545
3-(4-benzhydrylpiperazin-1-yl)-1-(1-benzothiophen-3-yl)-2-methylbutan-1-ol
CID 44602618
N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166341655
2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 86918659
3-(1-benzothiophen-3-yl)-3-pyrrolidin-1-ylpropanoic acid
CID 64528537
2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide
CID 116849870
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide
CID 156907302
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide (CID 97204222) is (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide is C[C@H](C(=O)N[C@H](C)c1csc2ccccc12)N1CCN(C)CC1.
What is the InChIKey of (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is DIHLMHUDZXKMGA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13(16-12-23-17-7-5-4-6-15(16)17)19-18(22)14(2)21-10-8-20(3)9-11-21/h4-7,12-14H,8-11H2,1-3H3,(H,19,22)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide?
(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 331.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 97204222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).