N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

C22H28N2O5S — CID 27088408

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-16(2)20-6-4-5-17(3)22(20)23-21(25)15-29-18-7-9-19(10-8-18)30(26,27)24-11-13-28-14-12-24/h4-10,16H,11-15H2,1-3H3,(H,23,25)
InChIKeyYBMPPSGBHGZOHG-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.16
Rot. Bonds7

About N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 27088408) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID27088408
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-16(2)20-6-4-5-17(3)22(20)23-21(25)15-29-18-7-9-19(10-8-18)30(26,27)24-11-13-28-14-12-24/h4-10,16H,11-15H2,1-3H3,(H,23,25)
InChIKeyYBMPPSGBHGZOHG-UHFFFAOYSA-N
XLogP3.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-(2,6-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27101599
N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30698413
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2557940
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 7790431
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26065401
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 55578275
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 42962810

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 27088408) is N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is YBMPPSGBHGZOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16(2)20-6-4-5-17(3)22(20)23-21(25)15-29-18-7-9-19(10-8-18)30(26,27)24-11-13-28-14-12-24/h4-10,16H,11-15H2,1-3H3,(H,23,25).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 432.54 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 27088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).