N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide

C17H13N5OS — CID 21371017

IUPACN-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2nc[nH]c12)Nc1cccc2ccccc12
InChIInChI=1S/C17H13N5OS/c23-14(8-24-17-15-16(19-9-18-15)20-10-21-17)22-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,9-10H,8H2,(H,22,23)(H,18,19,20,21)
InChIKeyBMIVVJFQEAYFCG-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.24
Rot. Bonds4

About N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide

N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide (PubChem CID 21371017) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide
PubChem CID21371017
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2nc[nH]c12)Nc1cccc2ccccc12
InChIInChI=1S/C17H13N5OS/c23-14(8-24-17-15-16(19-9-18-15)20-10-21-17)22-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,9-10H,8H2,(H,22,23)(H,18,19,20,21)
InChIKeyBMIVVJFQEAYFCG-UHFFFAOYSA-N
XLogP3.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 23101849
N-(4-iodophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 19059102
4-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]benzoic acid
CID 71296853
N-[(1S)-1-phenylethyl]-2-(7H-purin-6-ylsulfanyl)acetamide
CID 726078
2-(7H-purin-6-ylsulfanyl)-N-[5-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]pentyl]acetamide
CID 21026812
N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 3701880
N-naphthalen-1-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6492812
1-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 62254157
1-(2-fluorophenyl)-3-(7H-purin-6-ylsulfanyl)propan-2-one
CID 62254158
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1445436
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide (CID 21371017) is N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide is O=C(CSc1ncnc2nc[nH]c12)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide?
The InChIKey is BMIVVJFQEAYFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-14(8-24-17-15-16(19-9-18-15)20-10-21-17)22-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,9-10H,8H2,(H,22,23)(H,18,19,20,21).
What are the key properties of N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide?
N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide has a molecular weight of 335.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(7H-purin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 21371017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).