ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate

C20H27N3O7S2 — CID 4609147

IUPACethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)n1
InChIInChI=1S/C20H27N3O7S2/c1-4-30-18(24)13-16-14-31-20(21-16)22-19(25)15-5-7-17(8-6-15)32(26,27)23(9-11-28-2)10-12-29-3/h5-8,14H,4,9-13H2,1-3H3,(H,21,22,25)
InChIKeyABWPJDVVVFINFH-UHFFFAOYSA-N
MW485.58 g/mol
LogP1.78
Rot. Bonds13

About ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 4609147) has the molecular formula C20H27N3O7S2 and a molecular weight of 485.58 g/mol. Its IUPAC name is ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID4609147
Molecular FormulaC20H27N3O7S2
Molecular Weight485.58 g/mol
Exact Mass485.13
IUPAC Nameethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)n1
InChIInChI=1S/C20H27N3O7S2/c1-4-30-18(24)13-16-14-31-20(21-16)22-19(25)15-5-7-17(8-6-15)32(26,27)23(9-11-28-2)10-12-29-3/h5-8,14H,4,9-13H2,1-3H3,(H,21,22,25)
InChIKeyABWPJDVVVFINFH-UHFFFAOYSA-N
XLogP1.78
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
Ethyl 2-[2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]carbamoyl}amino)-1,3-thiazol-4-YL]acetate
CID 20924581
4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2549893
2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
CID 1236908
3-methyl-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}butanamide
CID 1236909
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1323359
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 1811788
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918
Ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 702014
2-[2-[[Benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester
CID 805875
Ethyl {2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl}acetate
CID 912543
{2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester
CID 1072709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 4609147) is ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ABWPJDVVVFINFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O7S2/c1-4-30-18(24)13-16-14-31-20(21-16)22-19(25)15-5-7-17(8-6-15)32(26,27)23(9-11-28-2)10-12-29-3/h5-8,14H,4,9-13H2,1-3H3,(H,21,22,25).
What are the key properties of ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 485.58 g/mol, XLogP of 1.78, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 4609147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).