N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide

C17H23N3O4S — CID 97198443

IUPACN-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide
SMILESC[C@@H]1CNC(=O)CCN1S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1
InChIInChI=1S/C17H23N3O4S/c1-12-11-18-16(21)8-9-20(12)25(23,24)15-7-2-4-13(10-15)17(22)19-14-5-3-6-14/h2,4,7,10,12,14H,3,5-6,8-9,11H2,1H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyAVQTXUAHVSFBAQ-GFCCVEGCSA-N
MW365.46 g/mol
LogP0.87
Rot. Bonds4

About N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide

N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide (PubChem CID 97198443) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide
PubChem CID97198443
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide
SMILESC[C@@H]1CNC(=O)CCN1S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1
InChIInChI=1S/C17H23N3O4S/c1-12-11-18-16(21)8-9-20(12)25(23,24)15-7-2-4-13(10-15)17(22)19-14-5-3-6-14/h2,4,7,10,12,14H,3,5-6,8-9,11H2,1H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyAVQTXUAHVSFBAQ-GFCCVEGCSA-N
XLogP0.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide?
The IUPAC name of N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide (CID 97198443) is N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide.
What is the SMILES notation for N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide?
The canonical SMILES for N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide is C[C@@H]1CNC(=O)CCN1S(=O)(=O)c1cccc(C(=O)NC2CCC2)c1.
What is the InChIKey of N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide?
The InChIKey is AVQTXUAHVSFBAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-11-18-16(21)8-9-20(12)25(23,24)15-7-2-4-13(10-15)17(22)19-14-5-3-6-14/h2,4,7,10,12,14H,3,5-6,8-9,11H2,1H3,(H,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide?
N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide is sourced from PubChem (CID 97198443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).