2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide

C21H21ClN6O2S — CID 1251793

IUPAC2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1Cl
InChIInChI=1S/C21H21ClN6O2S/c22-16-8-4-5-9-17(16)24-18(29)14-31-21-26-19(23-15-6-2-1-3-7-15)25-20(27-21)28-10-12-30-13-11-28/h1-9H,10-14H2,(H,24,29)(H,23,25,26,27)
InChIKeyDDNMSWYZEIZUAD-UHFFFAOYSA-N
MW456.96 g/mol
LogP3.84
Rot. Bonds7

About 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide (PubChem CID 1251793) has the molecular formula C21H21ClN6O2S and a molecular weight of 456.96 g/mol. Its IUPAC name is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
PubChem CID1251793
Molecular FormulaC21H21ClN6O2S
Molecular Weight456.96 g/mol
Exact Mass456.11
IUPAC Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1Cl
InChIInChI=1S/C21H21ClN6O2S/c22-16-8-4-5-9-17(16)24-18(29)14-31-21-26-19(23-15-6-2-1-3-7-15)25-20(27-21)28-10-12-30-13-11-28/h1-9H,10-14H2,(H,24,29)(H,23,25,26,27)
InChIKeyDDNMSWYZEIZUAD-UHFFFAOYSA-N
XLogP3.84
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide with MolForge

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Related Compounds

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 126396260
N-(4-acetamidophenyl)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 126394751
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 126397519
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 126394126
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid
CID 4767508
N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 1002158
N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589315
2-N,4-N-bis(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955710
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
N-(2-chlorophenyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27626700
2-N-[(2,6-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3592088

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide (CID 1251793) is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide is O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1Cl.
What is the InChIKey of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is DDNMSWYZEIZUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2S/c22-16-8-4-5-9-17(16)24-18(29)14-31-21-26-19(23-15-6-2-1-3-7-15)25-20(27-21)28-10-12-30-13-11-28/h1-9H,10-14H2,(H,24,29)(H,23,25,26,27).
What are the key properties of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide?
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 456.96 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 1251793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).