N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C19H25N3O4S — CID 135794521

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H25N3O4S/c1-5-6-14-10-17(23)21-19(20-14)27-12-18(24)22(2)11-13-7-8-15(25-3)16(9-13)26-4/h7-10H,5-6,11-12H2,1-4H3,(H,20,21,23)
InChIKeyJPHMELGSVLKIOH-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.49
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135794521) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135794521
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H25N3O4S/c1-5-6-14-10-17(23)21-19(20-14)27-12-18(24)22(2)11-13-7-8-15(25-3)16(9-13)26-4/h7-10H,5-6,11-12H2,1-4H3,(H,20,21,23)
InChIKeyJPHMELGSVLKIOH-UHFFFAOYSA-N
XLogP2.49
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135717650
methyl 2-[2-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780681
N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 135445460
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135600159
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135575513
2-methoxy-N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
CID 135794468
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-(2-ethylphenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 135415466
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 135524967
methyl 2-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780502
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
2-[2-(4-iodophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135949746

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135794521) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is JPHMELGSVLKIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-5-6-14-10-17(23)21-19(20-14)27-12-18(24)22(2)11-13-7-8-15(25-3)16(9-13)26-4/h7-10H,5-6,11-12H2,1-4H3,(H,20,21,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135794521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).