1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide

C17H24N2O3S — CID 95377141

IUPAC1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C17H24N2O3S/c1-13(7-8-14-5-3-2-4-6-14)18-17(20)15-11-19(12-15)23(21,22)16-9-10-16/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyGMHMTKALAZLXAU-ZDUSSCGKSA-N
MW336.46 g/mol
LogP1.55
Rot. Bonds7

About 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide

1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide (PubChem CID 95377141) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide
PubChem CID95377141
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C17H24N2O3S/c1-13(7-8-14-5-3-2-4-6-14)18-17(20)15-11-19(12-15)23(21,22)16-9-10-16/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyGMHMTKALAZLXAU-ZDUSSCGKSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide (CID 95377141) is 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide?
The InChIKey is GMHMTKALAZLXAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13(7-8-14-5-3-2-4-6-14)18-17(20)15-11-19(12-15)23(21,22)16-9-10-16/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 95377141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).