N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide

C16H22N2O4S — CID 166348882

IUPACN-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide
SMILESCCCOc1ccccc1C(=O)N1CC(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C16H22N2O4S/c1-2-9-22-15-6-4-3-5-14(15)16(19)18-10-13(11-18)23(20,21)17-12-7-8-12/h3-6,12-13,17H,2,7-11H2,1H3
InChIKeyGUCAIBYHWJEKSR-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.38
Rot. Bonds7

About N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide

N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide (PubChem CID 166348882) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide
PubChem CID166348882
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide
SMILESCCCOc1ccccc1C(=O)N1CC(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C16H22N2O4S/c1-2-9-22-15-6-4-3-5-14(15)16(19)18-10-13(11-18)23(20,21)17-12-7-8-12/h3-6,12-13,17H,2,7-11H2,1H3
InChIKeyGUCAIBYHWJEKSR-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-propoxyphenyl)methanone
CID 172657248
N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide
CID 75476262
N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide
CID 75476264
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
CID 116559237
[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
CID 4947734
2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
CID 116558980
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
[4-(2-butoxybenzoyl)-1,4-diazepan-1-yl]-(2-butoxyphenyl)methanone
CID 4981271
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-(2-ethoxyethoxy)phenyl]methanone
CID 133126045

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide (CID 166348882) is N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide is CCCOc1ccccc1C(=O)N1CC(S(=O)(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide?
The InChIKey is GUCAIBYHWJEKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-2-9-22-15-6-4-3-5-14(15)16(19)18-10-13(11-18)23(20,21)17-12-7-8-12/h3-6,12-13,17H,2,7-11H2,1H3.
What are the key properties of N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide?
N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide is sourced from PubChem (CID 166348882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).