2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide

C20H24ClN3OS — CID 17434731

IUPAC2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C20H24ClN3OS/c21-18-9-8-17(26-18)14-23-10-12-24(13-11-23)19(15-4-2-1-3-5-15)20(25)22-16-6-7-16/h1-5,8-9,16,19H,6-7,10-14H2,(H,22,25)
InChIKeyUKONFXGGPZPCST-UHFFFAOYSA-N
MW389.95 g/mol
LogP3.54
Rot. Bonds6

About 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide (PubChem CID 17434731) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
PubChem CID17434731
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C20H24ClN3OS/c21-18-9-8-17(26-18)14-23-10-12-24(13-11-23)19(15-4-2-1-3-5-15)20(25)22-16-6-7-16/h1-5,8-9,16,19H,6-7,10-14H2,(H,22,25)
InChIKeyUKONFXGGPZPCST-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 44432539
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 4843549
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 18163749
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide
CID 18180543
N-(2-((4-chlorophenyl)(phenyl)methylamino)-2-oxoethyl)thiophene-3-carboxamide
CID 24897002
Proline scaffold, 24
CID 42618122
2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
CID 2551480
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605
2-(4-Fluorophenyl)-N-[1-(4-methylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 3236509

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide (CID 17434731) is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide is O=C(NC1CC1)C(c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide?
The InChIKey is UKONFXGGPZPCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c21-18-9-8-17(26-18)14-23-10-12-24(13-11-23)19(15-4-2-1-3-5-15)20(25)22-16-6-7-16/h1-5,8-9,16,19H,6-7,10-14H2,(H,22,25).
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide?
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide has a molecular weight of 389.95 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 17434731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).