N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide

C18H21N3O4S — CID 155919610

IUPACN-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-19-18(22)14-2-4-16(5-3-14)26(23,24)21-17-12-25-11-15(17)10-13-6-8-20-9-7-13/h2-9,15,17,21H,10-12H2,1H3,(H,19,22)/t15-,17+/m1/s1
InChIKeyWGXRFWXDAUXBTK-WBVHZDCISA-N
MW375.45 g/mol
LogP0.98
Rot. Bonds6

About N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide

N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 155919610) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide
PubChem CID155919610
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-19-18(22)14-2-4-16(5-3-14)26(23,24)21-17-12-25-11-15(17)10-13-6-8-20-9-7-13/h2-9,15,17,21H,10-12H2,1H3,(H,19,22)/t15-,17+/m1/s1
InChIKeyWGXRFWXDAUXBTK-WBVHZDCISA-N
XLogP0.98
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide with MolForge

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Related Compounds

4-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135117229
3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135107844
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135110468
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
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
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135095493
N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
CID 135110585
6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 134695947

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide (CID 155919610) is N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1.
What is the InChIKey of N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is WGXRFWXDAUXBTK-WBVHZDCISA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-19-18(22)14-2-4-16(5-3-14)26(23,24)21-17-12-25-11-15(17)10-13-6-8-20-9-7-13/h2-9,15,17,21H,10-12H2,1H3,(H,19,22)/t15-,17+/m1/s1.
What are the key properties of N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide?
N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 155919610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).