2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide

C23H31N3O5S — CID 55346937

IUPAC2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NCCc1ccccc1
InChIInChI=1S/C23H31N3O5S/c1-18(2)31-22-9-8-20(32(28,29)26-12-14-30-15-13-26)16-21(22)25-17-23(27)24-11-10-19-6-4-3-5-7-19/h3-9,16,18,25H,10-15,17H2,1-2H3,(H,24,27)
InChIKeyIRHCMWSKTWTRSU-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.27
Rot. Bonds10

About 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide

2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide (PubChem CID 55346937) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide
PubChem CID55346937
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NCCc1ccccc1
InChIInChI=1S/C23H31N3O5S/c1-18(2)31-22-9-8-20(32(28,29)26-12-14-30-15-13-26)16-21(22)25-17-23(27)24-11-10-19-6-4-3-5-7-19/h3-9,16,18,25H,10-15,17H2,1-2H3,(H,24,27)
InChIKeyIRHCMWSKTWTRSU-UHFFFAOYSA-N
XLogP2.27
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 55365370
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)ethanone
CID 55346901
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614522
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)urea
CID 108888055
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
[2-oxo-2-(2-phenylethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314397
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 27955175
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-(2-ethoxy-5-morpholin-4-ylsulfonylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55502727
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7774854
phenyl N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]carbamate
CID 108736618

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide (CID 55346937) is 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is IRHCMWSKTWTRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-18(2)31-22-9-8-20(32(28,29)26-12-14-30-15-13-26)16-21(22)25-17-23(27)24-11-10-19-6-4-3-5-7-19/h3-9,16,18,25H,10-15,17H2,1-2H3,(H,24,27).
What are the key properties of 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide?
2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 461.58 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 55346937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).