N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide

C15H17N7O2S — CID 16610863

IUPACN-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESNc1nc(N)nc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1
InChIInChI=1S/C15H17N7O2S/c16-13-20-14(17)22-15(21-13)25-7-11(23)19-10-4-2-1-3-9(10)12(24)18-8-5-6-8/h1-4,8H,5-7H2,(H,18,24)(H,19,23)(H4,16,17,20,21,22)
InChIKeyMXWZQCKMCCKMMD-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.66
Rot. Bonds6

About N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 16610863) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID16610863
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC NameN-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESNc1nc(N)nc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1
InChIInChI=1S/C15H17N7O2S/c16-13-20-14(17)22-15(21-13)25-7-11(23)19-10-4-2-1-3-9(10)12(24)18-8-5-6-8/h1-4,8H,5-7H2,(H,18,24)(H,19,23)(H4,16,17,20,21,22)
InChIKeyMXWZQCKMCCKMMD-UHFFFAOYSA-N
XLogP0.66
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide with MolForge

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Related Compounds

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CID 9046628
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N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
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2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide
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2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
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2-(butanoylamino)-N-cyclopropylbenzamide
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CID 7415761
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287
2-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide (CID 16610863) is N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide is Nc1nc(N)nc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is MXWZQCKMCCKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2S/c16-13-20-14(17)22-15(21-13)25-7-11(23)19-10-4-2-1-3-9(10)12(24)18-8-5-6-8/h1-4,8H,5-7H2,(H,18,24)(H,19,23)(H4,16,17,20,21,22).
What are the key properties of N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 359.42 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 16610863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).