5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

C22H23ClN2O4S2 — CID 42171813

IUPAC5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C22H23ClN2O4S2/c23-21-7-8-22(30-21)31(26,27)25(14-19-5-1-2-10-24-19)13-17-4-3-6-20(12-17)29-16-18-9-11-28-15-18/h1-8,10,12,18H,9,11,13-16H2/t18-/m1/s1
InChIKeyWGFAPCXPYAFXQY-GOSISDBHSA-N
MW479.02 g/mol
LogP4.60
Rot. Bonds9

About 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 42171813) has the molecular formula C22H23ClN2O4S2 and a molecular weight of 479.02 g/mol. Its IUPAC name is 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID42171813
Molecular FormulaC22H23ClN2O4S2
Molecular Weight479.02 g/mol
Exact Mass478.08
IUPAC Name5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C22H23ClN2O4S2/c23-21-7-8-22(30-21)31(26,27)25(14-19-5-1-2-10-24-19)13-17-4-3-6-20(12-17)29-16-18-9-11-28-15-18/h1-8,10,12,18H,9,11,13-16H2/t18-/m1/s1
InChIKeyWGFAPCXPYAFXQY-GOSISDBHSA-N
XLogP4.60
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.02
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 26353603
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
4-methyl-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 45205532
3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795
3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42319962
3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 45205894
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 45220438
3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26340235
N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide
CID 42273870
2,3-dimethyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 42166452
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 45175320
5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 45191121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (CID 42171813) is 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1ccc(Cl)s1)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1.
What is the InChIKey of 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WGFAPCXPYAFXQY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23ClN2O4S2/c23-21-7-8-22(30-21)31(26,27)25(14-19-5-1-2-10-24-19)13-17-4-3-6-20(12-17)29-16-18-9-11-28-15-18/h1-8,10,12,18H,9,11,13-16H2/t18-/m1/s1.
What are the key properties of 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 479.02 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 42171813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).