N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide

C18H24N4O3S — CID 85465322

IUPACN-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESCN(C(=O)CSC1NC(=O)CC(CC(=O)NC2CC2)N1)c1ccccc1
InChIInChI=1S/C18H24N4O3S/c1-22(14-5-3-2-4-6-14)17(25)11-26-18-20-13(10-16(24)21-18)9-15(23)19-12-7-8-12/h2-6,12-13,18,20H,7-11H2,1H3,(H,19,23)(H,21,24)
InChIKeyCARIMWFZPFLTNS-UHFFFAOYSA-N
MW376.48 g/mol
LogP0.81
Rot. Bonds7

About N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide

N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide (PubChem CID 85465322) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
PubChem CID85465322
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESCN(C(=O)CSC1NC(=O)CC(CC(=O)NC2CC2)N1)c1ccccc1
InChIInChI=1S/C18H24N4O3S/c1-22(14-5-3-2-4-6-14)17(25)11-26-18-20-13(10-16(24)21-18)9-15(23)19-12-7-8-12/h2-6,12-13,18,20H,7-11H2,1H3,(H,19,23)(H,21,24)
InChIKeyCARIMWFZPFLTNS-UHFFFAOYSA-N
XLogP0.81
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide (CID 85465322) is N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide is CN(C(=O)CSC1NC(=O)CC(CC(=O)NC2CC2)N1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide?
The InChIKey is CARIMWFZPFLTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-22(14-5-3-2-4-6-14)17(25)11-26-18-20-13(10-16(24)21-18)9-15(23)19-12-7-8-12/h2-6,12-13,18,20H,7-11H2,1H3,(H,19,23)(H,21,24).
What are the key properties of N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide?
N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide is sourced from PubChem (CID 85465322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).