N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C14H15N3O3S — CID 37484139

IUPACN-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H15N3O3S/c18-12-5-6-16(14(20)15-12)9-13(19)17(10-3-4-10)8-11-2-1-7-21-11/h1-2,5-7,10H,3-4,8-9H2,(H,15,18,20)
InChIKeyINNWHJKYGMAFDA-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.79
Rot. Bonds5

About N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 37484139) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID37484139
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H15N3O3S/c18-12-5-6-16(14(20)15-12)9-13(19)17(10-3-4-10)8-11-2-1-7-21-11/h1-2,5-7,10H,3-4,8-9H2,(H,15,18,20)
InChIKeyINNWHJKYGMAFDA-UHFFFAOYSA-N
XLogP0.79
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610633
N-cyclopropyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86985290
ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 47794810
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 107261690
2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 91641807
N-cyclopropyl-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25345728
N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 42953421
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37483928
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 56811644
N-cyclopropyl-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715466

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 37484139) is N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is INNWHJKYGMAFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-12-5-6-16(14(20)15-12)9-13(19)17(10-3-4-10)8-11-2-1-7-21-11/h1-2,5-7,10H,3-4,8-9H2,(H,15,18,20).
What are the key properties of N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 37484139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).