2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide

C22H29N3O4S — CID 100521667

IUPAC2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(C)c1ccccc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H29N3O4S/c1-17(2)20-6-4-5-7-21(20)25(30(3,27)28)16-22(26)23-18-8-10-19(11-9-18)24-12-14-29-15-13-24/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKeyLEYGKWKMZDBKSN-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.05
Rot. Bonds7

About 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide

2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 100521667) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID100521667
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(C)c1ccccc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H29N3O4S/c1-17(2)20-6-4-5-7-21(20)25(30(3,27)28)16-22(26)23-18-8-10-19(11-9-18)24-12-14-29-15-13-24/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKeyLEYGKWKMZDBKSN-UHFFFAOYSA-N
XLogP3.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
N-[4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 37281546
N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30258400
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 100520127
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354484
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30262751
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100523212
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519657
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide (CID 100521667) is 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide is CC(C)c1ccccc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is LEYGKWKMZDBKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17(2)20-6-4-5-7-21(20)25(30(3,27)28)16-22(26)23-18-8-10-19(11-9-18)24-12-14-29-15-13-24/h4-11,17H,12-16H2,1-3H3,(H,23,26).
What are the key properties of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 100521667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).