(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

C18H19ClN4OS — CID 9445061

IUPAC(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H19ClN4OS/c1-13(17(24)21-18-14(12-20)6-11-25-18)22-7-9-23(10-8-22)16-5-3-2-4-15(16)19/h2-6,11,13H,7-10H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyUNMHJRGPJDSKEA-ZDUSSCGKSA-N
MW374.90 g/mol
LogP3.42
Rot. Bonds4

About (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 9445061) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID9445061
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H19ClN4OS/c1-13(17(24)21-18-14(12-20)6-11-25-18)22-7-9-23(10-8-22)16-5-3-2-4-15(16)19/h2-6,11,13H,7-10H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyUNMHJRGPJDSKEA-ZDUSSCGKSA-N
XLogP3.42
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-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-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17447395
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46558698
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431545
(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9462050
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9462046
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444967
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444969

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide (CID 9445061) is (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide is C[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is UNMHJRGPJDSKEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-13(17(24)21-18-14(12-20)6-11-25-18)22-7-9-23(10-8-22)16-5-3-2-4-15(16)19/h2-6,11,13H,7-10H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide?
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 374.90 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 9445061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).