N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide

C22H25FN2O3S — CID 6623270

IUPACN-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O3S/c1-17(2)25(16-18-6-4-3-5-7-18)22(26)19-12-14-24(15-13-19)29(27,28)21-10-8-20(23)9-11-21/h3-12,17H,13-16H2,1-2H3
InChIKeyKCUPSGXLSAPBGR-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.58
Rot. Bonds6

About N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide

N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 6623270) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID6623270
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC NameN-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O3S/c1-17(2)25(16-18-6-4-3-5-7-18)22(26)19-12-14-24(15-13-19)29(27,28)21-10-8-20(23)9-11-21/h3-12,17H,13-16H2,1-2H3
InChIKeyKCUPSGXLSAPBGR-UHFFFAOYSA-N
XLogP3.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 6623270) is N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is KCUPSGXLSAPBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c1-17(2)25(16-18-6-4-3-5-7-18)22(26)19-12-14-24(15-13-19)29(27,28)21-10-8-20(23)9-11-21/h3-12,17H,13-16H2,1-2H3.
What are the key properties of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 6623270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).