N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide

C26H31NO6S2 — CID 26354535

IUPACN-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(OC)c(OCc3cccs3)c2)C2CCCC2)c1
InChIInChI=1S/C26H31NO6S2/c1-30-21-11-13-24(32-3)26(16-21)35(28,29)27(20-7-4-5-8-20)17-19-10-12-23(31-2)25(15-19)33-18-22-9-6-14-34-22/h6,9-16,20H,4-5,7-8,17-18H2,1-3H3
InChIKeyYDKCXYAHLZTZMX-UHFFFAOYSA-N
MW517.67 g/mol
LogP5.49
Rot. Bonds11

About N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide

N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 26354535) has the molecular formula C26H31NO6S2 and a molecular weight of 517.67 g/mol. Its IUPAC name is N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID26354535
Molecular FormulaC26H31NO6S2
Molecular Weight517.67 g/mol
Exact Mass517.16
IUPAC NameN-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(OC)c(OCc3cccs3)c2)C2CCCC2)c1
InChIInChI=1S/C26H31NO6S2/c1-30-21-11-13-24(32-3)26(16-21)35(28,29)27(20-7-4-5-8-20)17-19-10-12-23(31-2)25(15-19)33-18-22-9-6-14-34-22/h6,9-16,20H,4-5,7-8,17-18H2,1-3H3
InChIKeyYDKCXYAHLZTZMX-UHFFFAOYSA-N
XLogP5.49
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496140
N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 26320099
N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 42451405
1-N-cyclohexyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-methyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1168573
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide
CID 42540428
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 118755483
N-[(4-bromophenyl)methyl]-N-(1-cyanopyrrolidin-3-yl)-2,5-dimethoxybenzenesulfonamide
CID 90698901
N-(1-cyanopyrrolidin-3-yl)-2,5-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 91221471
N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 654569
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide
CID 3362120
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide (CID 26354535) is N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(OC)c(OCc3cccs3)c2)C2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is YDKCXYAHLZTZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO6S2/c1-30-21-11-13-24(32-3)26(16-21)35(28,29)27(20-7-4-5-8-20)17-19-10-12-23(31-2)25(15-19)33-18-22-9-6-14-34-22/h6,9-16,20H,4-5,7-8,17-18H2,1-3H3.
What are the key properties of N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 517.67 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 26354535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).