N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide

C22H24N2O5S2 — CID 42836829

IUPACN-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide
SMILESCOc1cccc(CN(C2CC2)S(=O)(=O)c2ccccc2)c1OCc1nc(CO)cs1
InChIInChI=1S/C22H24N2O5S2/c1-28-20-9-5-6-16(22(20)29-14-21-23-17(13-25)15-30-21)12-24(18-10-11-18)31(26,27)19-7-3-2-4-8-19/h2-9,15,18,25H,10-14H2,1H3
InChIKeyIGOIYDBFXRFPOV-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.58
Rot. Bonds10

About N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide

N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide (PubChem CID 42836829) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide
PubChem CID42836829
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC NameN-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide
SMILESCOc1cccc(CN(C2CC2)S(=O)(=O)c2ccccc2)c1OCc1nc(CO)cs1
InChIInChI=1S/C22H24N2O5S2/c1-28-20-9-5-6-16(22(20)29-14-21-23-17(13-25)15-30-21)12-24(18-10-11-18)31(26,27)19-7-3-2-4-8-19/h2-9,15,18,25H,10-14H2,1H3
InChIKeyIGOIYDBFXRFPOV-UHFFFAOYSA-N
XLogP3.58
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]-2-phenylacetamide
CID 42836795
1-cyclopropyl-3-ethyl-1-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]thiourea
CID 46006549
N-cyclopropyl-3-fluoro-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzamide
CID 46006525
1-cyclopropyl-3-(4-fluorophenyl)-1-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]thiourea
CID 46006548
N-cyclopropyl-4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 42682590
N-[(2S)-butan-2-yl]-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 93165952
N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42836806
[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345
N-[(2R)-butan-2-yl]-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 93166049
N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 42682611
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 46009788
N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 46009473

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide (CID 42836829) is N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide is COc1cccc(CN(C2CC2)S(=O)(=O)c2ccccc2)c1OCc1nc(CO)cs1.
What is the InChIKey of N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide?
The InChIKey is IGOIYDBFXRFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c1-28-20-9-5-6-16(22(20)29-14-21-23-17(13-25)15-30-21)12-24(18-10-11-18)31(26,27)19-7-3-2-4-8-19/h2-9,15,18,25H,10-14H2,1H3.
What are the key properties of N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide?
N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide has a molecular weight of 460.58 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 42836829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).