2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide

C16H24N4O4S — CID 18338855

IUPAC2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide
SMILESCC(C)NC(=O)C1CCNC(=O)N1CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H24N4O4S/c1-11(2)19-15(21)14-7-9-18-16(22)20(14)10-8-12-3-5-13(6-4-12)25(17,23)24/h3-6,11,14H,7-10H2,1-2H3,(H,18,22)(H,19,21)(H2,17,23,24)
InChIKeyAUAQPGZIJNOYFT-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.19
Rot. Bonds6

About 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide

2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 18338855) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide
PubChem CID18338855
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide
SMILESCC(C)NC(=O)C1CCNC(=O)N1CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H24N4O4S/c1-11(2)19-15(21)14-7-9-18-16(22)20(14)10-8-12-3-5-13(6-4-12)25(17,23)24/h3-6,11,14H,7-10H2,1-2H3,(H,18,22)(H,19,21)(H2,17,23,24)
InChIKeyAUAQPGZIJNOYFT-UHFFFAOYSA-N
XLogP0.19
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide (CID 18338855) is 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide is CC(C)NC(=O)C1CCNC(=O)N1CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is AUAQPGZIJNOYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-11(2)19-15(21)14-7-9-18-16(22)20(14)10-8-12-3-5-13(6-4-12)25(17,23)24/h3-6,11,14H,7-10H2,1-2H3,(H,18,22)(H,19,21)(H2,17,23,24).
What are the key properties of 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide?
2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 18338855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).