2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C16H19N5O5S2 — CID 135471894

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C16H19N5O5S2/c17-13-9-14(22)20-16(19-13)27-10-15(23)18-11-1-3-12(4-2-11)28(24,25)21-5-7-26-8-6-21/h1-4,9H,5-8,10H2,(H,18,23)(H3,17,19,20,22)
InChIKeyJKHOULTUQWDRCV-UHFFFAOYSA-N
MW425.49 g/mol
LogP0.10
Rot. Bonds6

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 135471894) has the molecular formula C16H19N5O5S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID135471894
Molecular FormulaC16H19N5O5S2
Molecular Weight425.49 g/mol
Exact Mass425.08
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C16H19N5O5S2/c17-13-9-14(22)20-16(19-13)27-10-15(23)18-11-1-3-12(4-2-11)28(24,25)21-5-7-26-8-6-21/h1-4,9H,5-8,10H2,(H,18,23)(H3,17,19,20,22)
InChIKeyJKHOULTUQWDRCV-UHFFFAOYSA-N
XLogP0.10
TPSA147.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 135413939
N-{4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)(phenyl)sulfamoyl]phenyl}acetamide
CID 2965080
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135520961
2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 135406349
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
2-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
CID 2975166
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
CID 2998252
2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 3184608
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3363635
2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 6603000

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 135471894) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is JKHOULTUQWDRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5S2/c17-13-9-14(22)20-16(19-13)27-10-15(23)18-11-1-3-12(4-2-11)28(24,25)21-5-7-26-8-6-21/h1-4,9H,5-8,10H2,(H,18,23)(H3,17,19,20,22).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 425.49 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 135471894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).