N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide

C23H31NO6S2 — CID 42540428

IUPACN-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide
SMILESCOc1cc(CN(C2CCCC2)S(=O)(=O)c2cccs2)cc(OC)c1OC[C@H]1CCCO1
InChIInChI=1S/C23H31NO6S2/c1-27-20-13-17(14-21(28-2)23(20)30-16-19-9-5-11-29-19)15-24(18-7-3-4-8-18)32(25,26)22-10-6-12-31-22/h6,10,12-14,18-19H,3-5,7-9,11,15-16H2,1-2H3/t19-/m1/s1
InChIKeyRWDBMLWUGORCML-LJQANCHMSA-N
MW481.64 g/mol
LogP4.46
Rot. Bonds10

About N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide

N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 42540428) has the molecular formula C23H31NO6S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide
PubChem CID42540428
Molecular FormulaC23H31NO6S2
Molecular Weight481.64 g/mol
Exact Mass481.16
IUPAC NameN-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide
SMILESCOc1cc(CN(C2CCCC2)S(=O)(=O)c2cccs2)cc(OC)c1OC[C@H]1CCCO1
InChIInChI=1S/C23H31NO6S2/c1-27-20-13-17(14-21(28-2)23(20)30-16-19-9-5-11-29-19)15-24(18-7-3-4-8-18)32(25,26)22-10-6-12-31-22/h6,10,12-14,18-19H,3-5,7-9,11,15-16H2,1-2H3/t19-/m1/s1
InChIKeyRWDBMLWUGORCML-LJQANCHMSA-N
XLogP4.46
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide
CID 45172070
N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 45204859
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide
CID 17457424
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 26326345
2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60904754
(E)-N-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 26320462
4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 112823045
N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 26354535
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55962464
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide (CID 42540428) is N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide is COc1cc(CN(C2CCCC2)S(=O)(=O)c2cccs2)cc(OC)c1OC[C@H]1CCCO1.
What is the InChIKey of N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is RWDBMLWUGORCML-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31NO6S2/c1-27-20-13-17(14-21(28-2)23(20)30-16-19-9-5-11-29-19)15-24(18-7-3-4-8-18)32(25,26)22-10-6-12-31-22/h6,10,12-14,18-19H,3-5,7-9,11,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide?
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 481.64 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42540428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).