N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C23H26N2O5S2 — CID 26333291

IUPACN-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cccs2)cc1OC[C@@H]1CCOC1
InChIInChI=1S/C23H26N2O5S2/c1-28-21-7-6-18(12-22(21)30-17-20-8-10-29-16-20)14-25(15-19-4-2-9-24-13-19)32(26,27)23-5-3-11-31-23/h2-7,9,11-13,20H,8,10,14-17H2,1H3/t20-/m1/s1
InChIKeyPMWLFVRKBTWRGV-HXUWFJFHSA-N
MW474.60 g/mol
LogP3.96
Rot. Bonds10

About N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 26333291) has the molecular formula C23H26N2O5S2 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID26333291
Molecular FormulaC23H26N2O5S2
Molecular Weight474.60 g/mol
Exact Mass474.13
IUPAC NameN-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cccs2)cc1OC[C@@H]1CCOC1
InChIInChI=1S/C23H26N2O5S2/c1-28-21-7-6-18(12-22(21)30-17-20-8-10-29-16-20)14-25(15-19-4-2-9-24-13-19)32(26,27)23-5-3-11-31-23/h2-7,9,11-13,20H,8,10,14-17H2,1H3/t20-/m1/s1
InChIKeyPMWLFVRKBTWRGV-HXUWFJFHSA-N
XLogP3.96
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
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N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 45174309
2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 45173757
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 26282283
4-[3-(cyclopropylmethoxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 10158101
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4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 42171813
N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360280
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 26333291) is N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cccs2)cc1OC[C@@H]1CCOC1.
What is the InChIKey of N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is PMWLFVRKBTWRGV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N2O5S2/c1-28-21-7-6-18(12-22(21)30-17-20-8-10-29-16-20)14-25(15-19-4-2-9-24-13-19)32(26,27)23-5-3-11-31-23/h2-7,9,11-13,20H,8,10,14-17H2,1H3/t20-/m1/s1.
What are the key properties of N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 474.60 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 26333291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).