3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide

C18H23N3O4S — CID 58218477

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide
SMILESCN(CC1(c2ccccc2)CC1)S(=O)(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H23N3O4S/c1-20(14-18(9-10-18)15-6-3-2-4-7-15)26(24,25)13-5-11-21-12-8-16(22)19-17(21)23/h2-4,6-8,12H,5,9-11,13-14H2,1H3,(H,19,22,23)
InChIKeyVMQBFUZLKOVRRN-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.92
Rot. Bonds8

About 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide

3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide (PubChem CID 58218477) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide
PubChem CID58218477
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide
SMILESCN(CC1(c2ccccc2)CC1)S(=O)(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H23N3O4S/c1-20(14-18(9-10-18)15-6-3-2-4-7-15)26(24,25)13-5-11-21-12-8-16(22)19-17(21)23/h2-4,6-8,12H,5,9-11,13-14H2,1H3,(H,19,22,23)
InChIKeyVMQBFUZLKOVRRN-UHFFFAOYSA-N
XLogP0.92
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide (CID 58218477) is 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide is CN(CC1(c2ccccc2)CC1)S(=O)(=O)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide?
The InChIKey is VMQBFUZLKOVRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-20(14-18(9-10-18)15-6-3-2-4-7-15)26(24,25)13-5-11-21-12-8-16(22)19-17(21)23/h2-4,6-8,12H,5,9-11,13-14H2,1H3,(H,19,22,23).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide?
3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-phenylcyclopropyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 58218477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).