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

C19H24N2O4S — CID 135110468

IUPAC3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)ccc1OC
InChIInChI=1S/C19H24N2O4S/c1-3-15-11-17(4-5-19(15)24-2)26(22,23)21-18-13-25-12-16(18)10-14-6-8-20-9-7-14/h4-9,11,16,18,21H,3,10,12-13H2,1-2H3/t16-,18+/m1/s1
InChIKeyWCLWNKXTJSSAGP-AEFFLSMTSA-N
MW376.48 g/mol
LogP2.19
Rot. Bonds7

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

3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (PubChem CID 135110468) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
PubChem CID135110468
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)ccc1OC
InChIInChI=1S/C19H24N2O4S/c1-3-15-11-17(4-5-19(15)24-2)26(22,23)21-18-13-25-12-16(18)10-14-6-8-20-9-7-14/h4-9,11,16,18,21H,3,10,12-13H2,1-2H3/t16-,18+/m1/s1
InChIKeyWCLWNKXTJSSAGP-AEFFLSMTSA-N
XLogP2.19
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135107844
2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135095493
4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135117229
N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide
CID 155919610
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
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
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide (CID 135110468) is 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is CCc1cc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is WCLWNKXTJSSAGP-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-15-11-17(4-5-19(15)24-2)26(22,23)21-18-13-25-12-16(18)10-14-6-8-20-9-7-14/h4-9,11,16,18,21H,3,10,12-13H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide?
3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 135110468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).