2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

C20H26N2O4S — CID 135095493

IUPAC2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)16-4-5-19(25-3)20(11-16)27(23,24)22-18-13-26-12-17(18)10-15-6-8-21-9-7-15/h4-9,11,14,17-18,22H,10,12-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyJBUWGHJYTKGMSQ-MSOLQXFVSA-N
MW390.51 g/mol
LogP2.75
Rot. Bonds7

About 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (PubChem CID 135095493) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
PubChem CID135095493
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)16-4-5-19(25-3)20(11-16)27(23,24)22-18-13-26-12-17(18)10-15-6-8-21-9-7-15/h4-9,11,14,17-18,22H,10,12-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyJBUWGHJYTKGMSQ-MSOLQXFVSA-N
XLogP2.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135117229
3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135110468
3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135107844
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
2-methyl-5-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135087684
4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 135101105
2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 99967091
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696817

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (CID 135095493) is 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is JBUWGHJYTKGMSQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)16-4-5-19(25-3)20(11-16)27(23,24)22-18-13-26-12-17(18)10-15-6-8-21-9-7-15/h4-9,11,14,17-18,22H,10,12-13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 135095493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).