ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate

C21H26N2O6S — CID 56547990

IUPACethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)C(C)C
InChIInChI=1S/C21H26N2O6S/c1-5-29-20(24)14-23(15(2)3)21(25)16-10-12-17(13-11-16)30(26,27)22-18-8-6-7-9-19(18)28-4/h6-13,15,22H,5,14H2,1-4H3
InChIKeyAMOICYJKMNFKIY-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.91
Rot. Bonds9

About ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate

ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate (PubChem CID 56547990) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
PubChem CID56547990
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Nameethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)C(C)C
InChIInChI=1S/C21H26N2O6S/c1-5-29-20(24)14-23(15(2)3)21(25)16-10-12-17(13-11-16)30(26,27)22-18-8-6-7-9-19(18)28-4/h6-13,15,22H,5,14H2,1-4H3
InChIKeyAMOICYJKMNFKIY-UHFFFAOYSA-N
XLogP2.91
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 4-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 26680944
ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 56548086
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 55637435
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46588331
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861429
N-(cyclohexylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 43057461

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate (CID 56547990) is ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)C(C)C.
What is the InChIKey of ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate?
The InChIKey is AMOICYJKMNFKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-5-29-20(24)14-23(15(2)3)21(25)16-10-12-17(13-11-16)30(26,27)22-18-8-6-7-9-19(18)28-4/h6-13,15,22H,5,14H2,1-4H3.
What are the key properties of ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate?
ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate has a molecular weight of 434.51 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 56547990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).