2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C17H18N2O4S3 — CID 121121796

IUPAC2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2sc(-c3cccs3)nc2C)c1
InChIInChI=1S/C17H18N2O4S3/c1-11-15(25-17(19-11)14-5-4-8-24-14)10-18-26(20,21)16-9-12(22-2)6-7-13(16)23-3/h4-9,18H,10H2,1-3H3
InChIKeyHSVYUDPOBHTNMW-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.68
Rot. Bonds7

About 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 121121796) has the molecular formula C17H18N2O4S3 and a molecular weight of 410.54 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID121121796
Molecular FormulaC17H18N2O4S3
Molecular Weight410.54 g/mol
Exact Mass410.04
IUPAC Name2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2sc(-c3cccs3)nc2C)c1
InChIInChI=1S/C17H18N2O4S3/c1-11-15(25-17(19-11)14-5-4-8-24-14)10-18-26(20,21)16-9-12(22-2)6-7-13(16)23-3/h4-9,18H,10H2,1-3H3
InChIKeyHSVYUDPOBHTNMW-UHFFFAOYSA-N
XLogP3.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121789
1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546957
2,5-dimethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323254
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121798
3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 71795454
5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 121123398
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519
1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121873
1-(3-methylphenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121878
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546701
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 121121796) is 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2sc(-c3cccs3)nc2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is HSVYUDPOBHTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S3/c1-11-15(25-17(19-11)14-5-4-8-24-14)10-18-26(20,21)16-9-12(22-2)6-7-13(16)23-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121121796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).