3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide

C24H29N3O3S — CID 135858082

IUPAC3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCCOc1ccc(C(=O)NCCc2cccs2)cc1-c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C24H29N3O3S/c1-4-13-30-21-10-9-16(23(28)25-12-11-17-8-7-14-31-17)15-19(21)22-26-20(6-3)18(5-2)24(29)27-22/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,28)(H,26,27,29)
InChIKeyMVKDAGPPMMWBJY-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.38
Rot. Bonds10

About 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide

3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 135858082) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID135858082
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCCOc1ccc(C(=O)NCCc2cccs2)cc1-c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C24H29N3O3S/c1-4-13-30-21-10-9-16(23(28)25-12-11-17-8-7-14-31-17)15-19(21)22-26-20(6-3)18(5-2)24(29)27-22/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,28)(H,26,27,29)
InChIKeyMVKDAGPPMMWBJY-UHFFFAOYSA-N
XLogP4.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-3-oxopropyl)-3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxybenzamide
CID 137079181
5-(carbamoylamino)-2-[[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxybenzoyl]amino]pentanoic acid
CID 135858101
4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one
CID 135890158
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942
3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 110763768
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
CID 11958408
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 135858082) is 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide is CCCOc1ccc(C(=O)NCCc2cccs2)cc1-c1nc(CC)c(CC)c(=O)[nH]1.
What is the InChIKey of 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is MVKDAGPPMMWBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-4-13-30-21-10-9-16(23(28)25-12-11-17-8-7-14-31-17)15-19(21)22-26-20(6-3)18(5-2)24(29)27-22/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,28)(H,26,27,29).
What are the key properties of 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide?
3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 439.58 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 135858082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).