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

C19H24N4O4S2 — CID 135498727

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C19H24N4O4S2/c1-2-5-15-12-17(24)22-19(21-15)28-13-18(25)20-14-6-8-16(9-7-14)29(26,27)23-10-3-4-11-23/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyINKQCUNMKHJZHF-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.24
Rot. Bonds8

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

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 135498727) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID135498727
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C19H24N4O4S2/c1-2-5-15-12-17(24)22-19(21-15)28-13-18(25)20-14-6-8-16(9-7-14)29(26,27)23-10-3-4-11-23/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyINKQCUNMKHJZHF-UHFFFAOYSA-N
XLogP2.24
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 135413939
4-[(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 135422576
N-{4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)(phenyl)sulfamoyl]phenyl}acetamide
CID 2965080
N-[4-(1,3-thiazolidin-3-ylsulfonyl)phenyl]acetamide
CID 852123
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 2128213
2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 135406349
N-(4-Cyclohexylsulfamoyl-phenyl)-2-(4,5-dihydro-thiazol-2-ylsulfanyl)-acetamide
CID 1140658
N-(4-((2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)sulfonyl)phenyl)acetamide
CID 2148546
2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 3132115
2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 3184608
N-(4-{[(2Z)-2-({[4-(acetylamino)phenyl]sulfonyl}imino)-1,3-thiazolidin-3-yl]sulfonyl}phenyl)acetamide
CID 9555291
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 135423638

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 135498727) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is INKQCUNMKHJZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-2-5-15-12-17(24)22-19(21-15)28-13-18(25)20-14-6-8-16(9-7-14)29(26,27)23-10-3-4-11-23/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 135498727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).