3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide

C23H32N2O3S — CID 153319495

IUPAC3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide
SMILESCC(C)(C)Cc1ccc(C(C)(C)NS(=O)(=O)c2cccc(OCC3CC3)c2)cn1
InChIInChI=1S/C23H32N2O3S/c1-22(2,3)14-19-12-11-18(15-24-19)23(4,5)25-29(26,27)21-8-6-7-20(13-21)28-16-17-9-10-17/h6-8,11-13,15,17,25H,9-10,14,16H2,1-5H3
InChIKeyXVRLDFSBKHCEIM-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.67
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide

3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide (PubChem CID 153319495) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide
PubChem CID153319495
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide
SMILESCC(C)(C)Cc1ccc(C(C)(C)NS(=O)(=O)c2cccc(OCC3CC3)c2)cn1
InChIInChI=1S/C23H32N2O3S/c1-22(2,3)14-19-12-11-18(15-24-19)23(4,5)25-29(26,27)21-8-6-7-20(13-21)28-16-17-9-10-17/h6-8,11-13,15,17,25H,9-10,14,16H2,1-5H3
InChIKeyXVRLDFSBKHCEIM-UHFFFAOYSA-N
XLogP4.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[6-(bromomethyl)-3-pyridinyl]propan-2-yl]-3-(cyclopropylmethoxy)benzenesulfonamide
CID 67022061
N-[2-[6-(2-bromoethyl)-3-pyridinyl]propan-2-yl]-3-(cyclopropylmethoxy)benzenesulfonamide
CID 174612856
3-(cyclopropylmethoxy)-N-[2-[4-[(6-hydroxy-2-oxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide
CID 135218507
3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide
CID 76903093
N-[1-(3-aminopropoxy)-2-methylpropan-2-yl]-3-(cyclopropylmethoxy)benzenesulfonamide
CID 58218228
2-[3-[[3-(cyclopropylmethoxy)phenyl]sulfonylamino]propoxy]ethyl methanesulfonate
CID 146219495
1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine
CID 166538029
2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84674408
N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939642
1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene
CID 58218504
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine
CID 25256104

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide (CID 153319495) is 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide is CC(C)(C)Cc1ccc(C(C)(C)NS(=O)(=O)c2cccc(OCC3CC3)c2)cn1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide?
The InChIKey is XVRLDFSBKHCEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-22(2,3)14-19-12-11-18(15-24-19)23(4,5)25-29(26,27)21-8-6-7-20(13-21)28-16-17-9-10-17/h6-8,11-13,15,17,25H,9-10,14,16H2,1-5H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide?
3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide has a molecular weight of 416.59 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[2-[6-(2,2-dimethylpropyl)-3-pyridinyl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 153319495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).