N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

C19H21Cl2N3O2S — CID 86903665

IUPACN-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H21Cl2N3O2S/c1-13(22-18(25)16-6-3-11-27-16)19(26)24-9-7-23(8-10-24)12-14-4-2-5-15(20)17(14)21/h2-6,11,13H,7-10,12H2,1H3,(H,22,25)
InChIKeyHBLPVNARGRBTNR-UHFFFAOYSA-N
MW426.37 g/mol
LogP3.52
Rot. Bonds5

About N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 86903665) has the molecular formula C19H21Cl2N3O2S and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID86903665
Molecular FormulaC19H21Cl2N3O2S
Molecular Weight426.37 g/mol
Exact Mass425.07
IUPAC NameN-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H21Cl2N3O2S/c1-13(22-18(25)16-6-3-11-27-16)19(26)24-9-7-23(8-10-24)12-14-4-2-5-15(20)17(14)21/h2-6,11,13H,7-10,12H2,1H3,(H,22,25)
InChIKeyHBLPVNARGRBTNR-UHFFFAOYSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
N-[1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 48733274
N-[1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46471453
2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 55740337
1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 86903567
5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55832874
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 47135814
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;oxalic acid
CID 2926890
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
tert-butyl N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 20811681

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 86903665) is N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is HBLPVNARGRBTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2S/c1-13(22-18(25)16-6-3-11-27-16)19(26)24-9-7-23(8-10-24)12-14-4-2-5-15(20)17(14)21/h2-6,11,13H,7-10,12H2,1H3,(H,22,25).
What are the key properties of N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 426.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 86903665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).