N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide

C19H20N2O3S2 — CID 163248367

IUPACN-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCCc1sc(NS(=O)(=O)c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O3S2/c1-3-7-17-18(14-10-12-15(24-2)13-11-14)20-19(25-17)21-26(22,23)16-8-5-4-6-9-16/h4-6,8-13H,3,7H2,1-2H3,(H,20,21)
InChIKeyYMAOMPQJZDJCDP-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.57
Rot. Bonds7

About N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide

N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 163248367) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID163248367
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCCc1sc(NS(=O)(=O)c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O3S2/c1-3-7-17-18(14-10-12-15(24-2)13-11-14)20-19(25-17)21-26(22,23)16-8-5-4-6-9-16/h4-6,8-13H,3,7H2,1-2H3,(H,20,21)
InChIKeyYMAOMPQJZDJCDP-UHFFFAOYSA-N
XLogP4.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 108780400
3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 156586306
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1348974
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 670284
N-(2-methoxyphenyl)-4-phenyl-5-propyl-1,3-thiazol-2-amine
CID 672840
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
methyl 4-[(4-phenyl-5-propyl-1,3-thiazol-2-yl)amino]benzoate
CID 1111717
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 3346909
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 157015729

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide (CID 163248367) is N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide is CCCc1sc(NS(=O)(=O)c2ccccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is YMAOMPQJZDJCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-3-7-17-18(14-10-12-15(24-2)13-11-14)20-19(25-17)21-26(22,23)16-8-5-4-6-9-16/h4-6,8-13H,3,7H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide?
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 163248367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).