N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H25N3O3S — CID 171442391

IUPACN-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOCC1=C(C(=O)NCC2CCCCC2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C18H25N3O3S/c1-24-11-13-15(17(22)19-10-12-6-3-2-4-7-12)16(21-18(23)20-13)14-8-5-9-25-14/h5,8-9,12,16H,2-4,6-7,10-11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeySJAWQTLGDXGVCL-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.70
Rot. Bonds6

About N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 171442391) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID171442391
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOCC1=C(C(=O)NCC2CCCCC2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C18H25N3O3S/c1-24-11-13-15(17(22)19-10-12-6-3-2-4-7-12)16(21-18(23)20-13)14-8-5-9-25-14/h5,8-9,12,16H,2-4,6-7,10-11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeySJAWQTLGDXGVCL-UHFFFAOYSA-N
XLogP2.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549
ethyl 2-oxo-6-(piperidin-1-ylmethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46276919
ethyl (4S)-2-oxo-6-(pyridine-2-carbonyloxymethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25315345
methyl 6-[(4-benzylpiperidin-1-yl)methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46921127
ethyl (4R)-2-oxo-6-(pyrrolidin-1-ylmethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 29047245
tert-butyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2908809
(4S)-N-(4-methoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695933
ethyl 6-[(2-benzoylbenzoyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42987552
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128652
(4R)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695871
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 71687695

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 171442391) is N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is COCC1=C(C(=O)NCC2CCCCC2)C(c2cccs2)NC(=O)N1.
What is the InChIKey of N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is SJAWQTLGDXGVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-24-11-13-15(17(22)19-10-12-6-3-2-4-7-12)16(21-18(23)20-13)14-8-5-9-25-14/h5,8-9,12,16H,2-4,6-7,10-11H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-(methoxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 171442391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).