N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide

C20H30ClN3O4S — CID 153452701

About N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide

N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide (PubChem CID 153452701) has the molecular formula C20H30ClN3O4S and a molecular weight of 444.00 g/mol. Its IUPAC name is N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
• PubChem CID: 153452701
• Molecular Formula: C20H30ClN3O4S
• Molecular Weight: 444.00 g/mol
• Exact Mass: 443.16
• IUPAC Name: N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
• SMILES: CC(C)([C@@H](CO)NC(=O)N1CCC1)S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C20H30ClN3O4S/c1-20(2,18(14-25)22-19(26)23-10-3-11-23)29(27,28)24-12-8-16(9-13-24)15-4-6-17(21)7-5-15/h4-7,16,18,25H,3,8-14H2,1-2H3,(H,22,26)/t18-/m1/s1
• InChIKey: LSNMDSKOPFKXKF-GOSISDBHSA-N
• XLogP: 2.40
• TPSA: 89.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.00
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide?

The IUPAC name of N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide (CID 153452701) is N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide.

What is the SMILES notation for N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide?

The canonical SMILES for N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide is CC(C)([C@@H](CO)NC(=O)N1CCC1)S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1.

What is the InChIKey of N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide?

The InChIKey is LSNMDSKOPFKXKF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30ClN3O4S/c1-20(2,18(14-25)22-19(26)23-10-3-11-23)29(27,28)24-12-8-16(9-13-24)15-4-6-17(21)7-5-15/h4-7,16,18,25H,3,8-14H2,1-2H3,(H,22,26)/t18-/m1/s1.

What are the key properties of N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide?

N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide has a molecular weight of 444.00 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 153452701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).