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

C19H23ClN4O5S2 — CID 135457193

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C19H23ClN4O5S2/c1-2-3-13-11-17(25)23-19(22-13)30-12-18(26)21-14-4-5-15(20)16(10-14)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyXSCNSSQEWXWQQF-UHFFFAOYSA-N
MW487.00 g/mol
LogP2.13
Rot. Bonds8

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

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135457193) has the molecular formula C19H23ClN4O5S2 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135457193
Molecular FormulaC19H23ClN4O5S2
Molecular Weight487.00 g/mol
Exact Mass486.08
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C19H23ClN4O5S2/c1-2-3-13-11-17(25)23-19(22-13)30-12-18(26)21-14-4-5-15(20)16(10-14)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyXSCNSSQEWXWQQF-UHFFFAOYSA-N
XLogP2.13
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135520961
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
N-(3-chloro-4-morpholino-phenyl)-5-keto-3,7-dimethyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990076
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 135423638
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 135471894
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 135449795
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135480975
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135513587
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
CID 9551999
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 135440977

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135457193) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is XSCNSSQEWXWQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O5S2/c1-2-3-13-11-17(25)23-19(22-13)30-12-18(26)21-14-4-5-15(20)16(10-14)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 487.00 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135457193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).