N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C19H18Cl2N4OS — CID 11510023

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCCNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1
InChIInChI=1S/C19H18Cl2N4OS/c1-2-22-19-24-10-8-15(25-19)16-5-6-17(27-16)18(26)23-9-7-12-3-4-13(20)11-14(12)21/h3-6,8,10-11H,2,7,9H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyVFIZNSNMLQIIMY-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.92
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 11510023) has the molecular formula C19H18Cl2N4OS and a molecular weight of 421.35 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID11510023
Molecular FormulaC19H18Cl2N4OS
Molecular Weight421.35 g/mol
Exact Mass420.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCCNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1
InChIInChI=1S/C19H18Cl2N4OS/c1-2-22-19-24-10-8-15(25-19)16-5-6-17(27-16)18(26)23-9-7-12-3-4-13(20)11-14(12)21/h3-6,8,10-11H,2,7,9H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyVFIZNSNMLQIIMY-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

PD173955
CID 447077
N-((1S)-2-Amino-1-(2,4-dichlorobenzyl)ethyl)-5-(2-(methylamino)pyrimidin-4-YL)thiophene-2-carboxamide
CID 16043304
2-amino-4-(2,4-dichlorophenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 44129601
2-amino-4-(2,4-dichlorophenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 44129601
PfGSK3/PfPK6-IN-2
CID 165437253
PfGSK3/PfPK6-IN-2
CID 165437253
N-(2,4-dichlorophenethyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11502369
N-((S)-3-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11575743
N-(4-(2,4-dichlorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11626389
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-thiophene-3-carboxamide
CID 24809936
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-thiophene-3-carboxamide
CID 24809936
N-((S)-1-(2,4-dichlorophenyl)-3-(dimethylamino)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414447

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 11510023) is N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide is CCNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is VFIZNSNMLQIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4OS/c1-2-22-19-24-10-8-15(25-19)16-5-6-17(27-16)18(26)23-9-7-12-3-4-13(20)11-14(12)21/h3-6,8,10-11H,2,7,9H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-5-[2-(ethylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11510023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).