N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide

C21H27N3O6S — CID 2974906

IUPACN-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide
SMILESCCOc1ccc(NC(=O)C(C)O)c(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1
InChIInChI=1S/C21H27N3O6S/c1-4-30-17-7-10-19(23-21(27)14(2)25)20(13-17)24-31(28,29)18-8-5-16(6-9-18)11-12-22-15(3)26/h5-10,13-14,24-25H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeySNDXLAPIQDEAGW-UHFFFAOYSA-N
MW449.53 g/mol
LogP1.88
Rot. Bonds10

About N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide

N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide (PubChem CID 2974906) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide
PubChem CID2974906
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC NameN-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide
SMILESCCOc1ccc(NC(=O)C(C)O)c(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1
InChIInChI=1S/C21H27N3O6S/c1-4-30-17-7-10-19(23-21(27)14(2)25)20(13-17)24-31(28,29)18-8-5-16(6-9-18)11-12-22-15(3)26/h5-10,13-14,24-25H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeySNDXLAPIQDEAGW-UHFFFAOYSA-N
XLogP1.88
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618454
N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618182
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126397504
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60588883
N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide
CID 4921158
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16527095
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
1-[[3-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 4847637
N-[5-[3-(4-ethoxyphenyl)propylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100641134
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
2-(4-fluorophenoxy)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30126016
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide?
The IUPAC name of N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide (CID 2974906) is N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide?
The canonical SMILES for N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide is CCOc1ccc(NC(=O)C(C)O)c(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1.
What is the InChIKey of N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide?
The InChIKey is SNDXLAPIQDEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-4-30-17-7-10-19(23-21(27)14(2)25)20(13-17)24-31(28,29)18-8-5-16(6-9-18)11-12-22-15(3)26/h5-10,13-14,24-25H,4,11-12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide?
N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide has a molecular weight of 449.53 g/mol, XLogP of 1.88, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide is sourced from PubChem (CID 2974906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).