N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

C21H25N3O5S2 — CID 95085354

About N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 95085354) has the molecular formula C21H25N3O5S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
• PubChem CID: 95085354
• Molecular Formula: C21H25N3O5S2
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.12
• IUPAC Name: N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
• SMILES: C[C@H](Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1
• InChI: InChI=1S/C21H25N3O5S2/c1-14(12-16-4-3-11-29-16)22-20(25)15-7-9-24(10-8-15)31(27,28)17-5-6-18-19(13-17)30-21(26)23(18)2/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,22,25)/t14-/m1/s1
• InChIKey: UORUPFAZOZKGFB-CQSZACIVSA-N
• XLogP: 2.34
• TPSA: 101.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (CID 95085354) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is C[C@H](Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1.

What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The InChIKey is UORUPFAZOZKGFB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O5S2/c1-14(12-16-4-3-11-29-16)22-20(25)15-7-9-24(10-8-15)31(27,28)17-5-6-18-19(13-17)30-21(26)23(18)2/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,22,25)/t14-/m1/s1.

What are the key properties of N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 95085354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).