(2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide

C20H25N5O4S — CID 92871306

IUPAC(2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
SMILESCC(C)n1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C20H25N5O4S/c1-14(2)25-18-9-8-16(12-17(18)22-23-25)30(27,28)24-10-4-3-7-19(24)20(26)21-13-15-6-5-11-29-15/h5-6,8-9,11-12,14,19H,3-4,7,10,13H2,1-2H3,(H,21,26)/t19-/m1/s1
InChIKeyXLDACSYIMMXDRM-LJQANCHMSA-N
MW431.52 g/mol
LogP2.46
Rot. Bonds6

About (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide

(2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide (PubChem CID 92871306) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
PubChem CID92871306
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name(2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
SMILESCC(C)n1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C20H25N5O4S/c1-14(2)25-18-9-8-16(12-17(18)22-23-25)30(27,28)24-10-4-3-7-19(24)20(26)21-13-15-6-5-11-29-15/h5-6,8-9,11-12,14,19H,3-4,7,10,13H2,1-2H3,(H,21,26)/t19-/m1/s1
InChIKeyXLDACSYIMMXDRM-LJQANCHMSA-N
XLogP2.46
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-1-[1-(3-methoxypropyl)benzotriazol-5-yl]sulfonylpyrrolidine-2-carboxamide
CID 46330238
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 46330248
piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone
CID 50787545
N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330284
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
N-benzyl-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpiperidine-2-carboxamide
CID 50787447
(2R)-N-benzyl-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpiperidine-2-carboxamide
CID 92890289
1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 46330231
N-(3-methylbutyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 50787612
N-[(4-fluorophenyl)methyl]-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpiperidine-2-carboxamide
CID 50787630
1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55598353
methyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023574

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide (CID 92871306) is (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide is CC(C)n1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccco3)ccc21.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide?
The InChIKey is XLDACSYIMMXDRM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-14(2)25-18-9-8-16(12-17(18)22-23-25)30(27,28)24-10-4-3-7-19(24)20(26)21-13-15-6-5-11-29-15/h5-6,8-9,11-12,14,19H,3-4,7,10,13H2,1-2H3,(H,21,26)/t19-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide?
(2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 92871306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).