(2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide

C18H21Cl2N3OS — CID 30723196

IUPAC(2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H21Cl2N3OS/c1-13(18(24)21-16-4-2-3-15(19)17(16)20)23-8-6-22(7-9-23)11-14-5-10-25-12-14/h2-5,10,12-13H,6-9,11H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyDCEYLBVPRFMZNN-CYBMUJFWSA-N
MW398.36 g/mol
LogP4.20
Rot. Bonds5

About (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide

(2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 30723196) has the molecular formula C18H21Cl2N3OS and a molecular weight of 398.36 g/mol. Its IUPAC name is (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
PubChem CID30723196
Molecular FormulaC18H21Cl2N3OS
Molecular Weight398.36 g/mol
Exact Mass397.08
IUPAC Name(2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H21Cl2N3OS/c1-13(18(24)21-16-4-2-3-15(19)17(16)20)23-8-6-22(7-9-23)11-14-5-10-25-12-14/h2-5,10,12-13H,6-9,11H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyDCEYLBVPRFMZNN-CYBMUJFWSA-N
XLogP4.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30724631
(2R)-N-(4-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739497
(2S)-N-(4-chloro-2-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739460
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30721542
(2R)-N-(4-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30721681
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30731779
N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 16567797
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 18282245
N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168041
(2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide
CID 30725312

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide (CID 30723196) is (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is DCEYLBVPRFMZNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21Cl2N3OS/c1-13(18(24)21-16-4-2-3-15(19)17(16)20)23-8-6-22(7-9-23)11-14-5-10-25-12-14/h2-5,10,12-13H,6-9,11H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide?
(2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 398.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30723196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).