N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C21H17ClN4OS — CID 39085196

IUPACN-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESO=C(CNc1ncnc2sc(-c3ccccc3)cc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4OS/c22-16-8-6-14(7-9-16)11-23-19(27)12-24-20-17-10-18(15-4-2-1-3-5-15)28-21(17)26-13-25-20/h1-10,13H,11-12H2,(H,23,27)(H,24,25,26)
InChIKeyRMMMIUHOJBOEKQ-UHFFFAOYSA-N
MW408.91 g/mol
LogP4.74
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 39085196) has the molecular formula C21H17ClN4OS and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID39085196
Molecular FormulaC21H17ClN4OS
Molecular Weight408.91 g/mol
Exact Mass408.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESO=C(CNc1ncnc2sc(-c3ccccc3)cc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4OS/c22-16-8-6-14(7-9-16)11-23-19(27)12-24-20-17-10-18(15-4-2-1-3-5-15)28-21(17)26-13-25-20/h1-10,13H,11-12H2,(H,23,27)(H,24,25,26)
InChIKeyRMMMIUHOJBOEKQ-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085150
2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133367589
N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39082204
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300
ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 47081244
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
6-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 167844466
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide
CID 106193036
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 28840002
N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 17483718

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 39085196) is N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is O=C(CNc1ncnc2sc(-c3ccccc3)cc12)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is RMMMIUHOJBOEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4OS/c22-16-8-6-14(7-9-16)11-23-19(27)12-24-20-17-10-18(15-4-2-1-3-5-15)28-21(17)26-13-25-20/h1-10,13H,11-12H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 408.91 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 39085196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).