N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide

C19H25N3O2S — CID 136685024

IUPACN-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
SMILESCCCc1cc(=O)[nH]c(SC(CC)C(=O)Nc2cc(C)ccc2C)n1
InChIInChI=1S/C19H25N3O2S/c1-5-7-14-11-17(23)22-19(20-14)25-16(6-2)18(24)21-15-10-12(3)8-9-13(15)4/h8-11,16H,5-7H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyXOXUPZYEOIRWJX-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.85
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide

N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide (PubChem CID 136685024) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
PubChem CID136685024
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
SMILESCCCc1cc(=O)[nH]c(SC(CC)C(=O)Nc2cc(C)ccc2C)n1
InChIInChI=1S/C19H25N3O2S/c1-5-7-14-11-17(23)22-19(20-14)25-16(6-2)18(24)21-15-10-12(3)8-9-13(15)4/h8-11,16H,5-7H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyXOXUPZYEOIRWJX-UHFFFAOYSA-N
XLogP3.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
CID 136685539
N-(2,5-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136685411
2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)butanamide
CID 136686712
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)butanamide
CID 136684561
(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
CID 135987826
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide
CID 136685258
N-(2,4-dimethylphenyl)-2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136685754
ethyl 1-methyl-5-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]pyrazole-4-carboxylate
CID 136685012
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)butanamide
CID 23858516
(2S)-N-(3-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135763464
N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685002
N-(2,5-dimethylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135667448

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide (CID 136685024) is N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide is CCCc1cc(=O)[nH]c(SC(CC)C(=O)Nc2cc(C)ccc2C)n1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The InChIKey is XOXUPZYEOIRWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-5-7-14-11-17(23)22-19(20-14)25-16(6-2)18(24)21-15-10-12(3)8-9-13(15)4/h8-11,16H,5-7H2,1-4H3,(H,21,24)(H,20,22,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide?
N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide has a molecular weight of 359.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 136685024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).