2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C16H21N3O5S2 — CID 90518455

IUPAC2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C16H21N3O5S2/c1-11-14(15(20)19(2)3)25-16(17-11)18-26(21,22)10-9-24-13-7-5-12(23-4)6-8-13/h5-8H,9-10H2,1-4H3,(H,17,18)
InChIKeyMZHDGPYJQWQBTD-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.98
Rot. Bonds8

About 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 90518455) has the molecular formula C16H21N3O5S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID90518455
Molecular FormulaC16H21N3O5S2
Molecular Weight399.49 g/mol
Exact Mass399.09
IUPAC Name2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C16H21N3O5S2/c1-11-14(15(20)19(2)3)25-16(17-11)18-26(21,22)10-9-24-13-7-5-12(23-4)6-8-13/h5-8H,9-10H2,1-4H3,(H,17,18)
InChIKeyMZHDGPYJQWQBTD-UHFFFAOYSA-N
XLogP1.98
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90518649
N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide
CID 91956017
2-(methanesulfonamido)-N-(3-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 100772871
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90624573
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
2-(4-methoxyphenoxy)-N-(3-methyl-2-pyridinyl)ethanesulfonamide
CID 90518353
2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide
CID 56764872
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108802948
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 90518455) is 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is COc1ccc(OCCS(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MZHDGPYJQWQBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S2/c1-11-14(15(20)19(2)3)25-16(17-11)18-26(21,22)10-9-24-13-7-5-12(23-4)6-8-13/h5-8H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90518455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).