propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate

C18H20ClNO5S — CID 50891344

IUPACpropan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate
SMILESCOc1ccc(N(CC(=O)OC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO5S/c1-13(2)25-18(21)12-20(15-6-8-16(24-3)9-7-15)26(22,23)17-10-4-14(19)5-11-17/h4-11,13H,12H2,1-3H3
InChIKeyTXLLNJZAXZMQQE-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.50
Rot. Bonds7

About propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate

propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate (PubChem CID 50891344) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate
PubChem CID50891344
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Namepropan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate
SMILESCOc1ccc(N(CC(=O)OC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO5S/c1-13(2)25-18(21)12-20(15-6-8-16(24-3)9-7-15)26(22,23)17-10-4-14(19)5-11-17/h4-11,13H,12H2,1-3H3
InChIKeyTXLLNJZAXZMQQE-UHFFFAOYSA-N
XLogP3.50
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate
CID 50889833
propan-2-yl 2-(4-bromo-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890735
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891301
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126271049
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92674265
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897103
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125084351
propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890197

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate?
The IUPAC name of propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate (CID 50891344) is propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate?
The canonical SMILES for propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate is COc1ccc(N(CC(=O)OC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate?
The InChIKey is TXLLNJZAXZMQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c1-13(2)25-18(21)12-20(15-6-8-16(24-3)9-7-15)26(22,23)17-10-4-14(19)5-11-17/h4-11,13H,12H2,1-3H3.
What are the key properties of propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate?
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate has a molecular weight of 397.88 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate is sourced from PubChem (CID 50891344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).