(2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide

C18H21Cl2N3OS — CID 30725312

IUPAC(2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C18H21Cl2N3OS/c1-13(18(24)21-16-5-3-2-4-15(16)19)23-10-8-22(9-11-23)12-14-6-7-17(20)25-14/h2-7,13H,8-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyBMMINVQYUHFCSL-CYBMUJFWSA-N
MW398.36 g/mol
LogP4.20
Rot. Bonds5

About (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide

(2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 30725312) has the molecular formula C18H21Cl2N3OS and a molecular weight of 398.36 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide
PubChem CID30725312
Molecular FormulaC18H21Cl2N3OS
Molecular Weight398.36 g/mol
Exact Mass397.08
IUPAC Name(2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C18H21Cl2N3OS/c1-13(18(24)21-16-5-3-2-4-15(16)19)23-10-8-22(9-11-23)12-14-6-7-17(20)25-14/h2-7,13H,8-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyBMMINVQYUHFCSL-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

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 84986849
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
(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 9317239
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
CID 112798956
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide (CID 30725312) is (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is BMMINVQYUHFCSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21Cl2N3OS/c1-13(18(24)21-16-5-3-2-4-15(16)19)23-10-8-22(9-11-23)12-14-6-7-17(20)25-14/h2-7,13H,8-12H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide?
(2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]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-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30725312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).