N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C19H24N4O5S2 — CID 135474994

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C19H24N4O5S2/c1-2-4-14-12-17(24)22-19(21-14)29-13-18(25)20-15-5-3-6-16(11-15)30(26,27)23-7-9-28-10-8-23/h3,5-6,11-12H,2,4,7-10,13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeySKAPNXCFABJKEL-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.47
Rot. Bonds8

About N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135474994) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135474994
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C19H24N4O5S2/c1-2-4-14-12-17(24)22-19(21-14)29-13-18(25)20-15-5-3-6-16(11-15)30(26,27)23-7-9-28-10-8-23/h3,5-6,11-12H,2,4,7-10,13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeySKAPNXCFABJKEL-UHFFFAOYSA-N
XLogP1.47
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135474994) is N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is SKAPNXCFABJKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S2/c1-2-4-14-12-17(24)22-19(21-14)29-13-18(25)20-15-5-3-6-16(11-15)30(26,27)23-7-9-28-10-8-23/h3,5-6,11-12H,2,4,7-10,13H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135474994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).