N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide

C16H17N5O3S — CID 1409103

IUPACN-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCN1)Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C16H17N5O3S/c22-13-8-12(19-14(23)10-25-15-17-6-7-18-15)21(16(24)20-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,17,18)(H,19,23)(H,20,22,24)
InChIKeyOURKSZJPGMKXNA-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.22
Rot. Bonds5

About N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide

N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (PubChem CID 1409103) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
PubChem CID1409103
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCN1)Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C16H17N5O3S/c22-13-8-12(19-14(23)10-25-15-17-6-7-18-15)21(16(24)20-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,17,18)(H,19,23)(H,20,22,24)
InChIKeyOURKSZJPGMKXNA-UHFFFAOYSA-N
XLogP0.22
TPSA108.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135405931
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2467500
2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4880188
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]thio}-N-benzylpropanamide
CID 4917997
N-benzyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256647
N-benzyl-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259321
N-[2-benzylsulfanyl-5-(dibenzylamino)-1-ethyl-6-oxopyrimidin-4-yl]acetamide
CID 53388793
N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135415543
N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135416815
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 135775936
N-(benzylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2524897

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (CID 1409103) is N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCN1)Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The InChIKey is OURKSZJPGMKXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c22-13-8-12(19-14(23)10-25-15-17-6-7-18-15)21(16(24)20-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,17,18)(H,19,23)(H,20,22,24).
What are the key properties of N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 1409103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).