N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C18H17ClN4OS — CID 11610430

IUPACN-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C18H17ClN4OS/c1-20-18-22-11-9-14(23-18)15-6-7-16(25-15)17(24)21-10-8-12-2-4-13(19)5-3-12/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyYPNATZHZOCDUHJ-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 11610430) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID11610430
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C18H17ClN4OS/c1-20-18-22-11-9-14(23-18)15-6-7-16(25-15)17(24)21-10-8-12-2-4-13(19)5-3-12/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyYPNATZHZOCDUHJ-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
Thieno[2,3-d]pyrimidine, 21b
CID 44220504
2-(2-Aminopyrimidin-4-yl)-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxamide
CID 76072859
PfGSK3/PfPK6-IN-2
CID 165437253
4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 44526241
N-(4-chlorobenzyl)-2-{[(2-hydroxy-2-pyrimidin-2-ylethyl)(methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 10239304
N-(4-chlorobenzyl)-2-(((2-hydroxy-2-(pyrimidin-2-yl)ethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide
CID 10368624
N-(2,4-dichlorophenethyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11502369
N-(2,4-dichlorophenethyl)-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 11567357
N-((S)-3-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11575743
N-(4-(4-chlorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11661454

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 11610430) is N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)s2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is YPNATZHZOCDUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-20-18-22-11-9-14(23-18)15-6-7-16(25-15)17(24)21-10-8-12-2-4-13(19)5-3-12/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11610430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).