2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C22H29N3O4S — CID 25483949

IUPAC2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)17-4-6-18(7-5-17)23-16-21(26)24-19-8-10-20(11-9-19)30(27,28)25-12-14-29-15-13-25/h4-11,23H,12-16H2,1-3H3,(H,24,26)
InChIKeyBOQXJVDJDRHYLW-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 25483949) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID25483949
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)17-4-6-18(7-5-17)23-16-21(26)24-19-8-10-20(11-9-19)30(27,28)25-12-14-29-15-13-25/h4-11,23H,12-16H2,1-3H3,(H,24,26)
InChIKeyBOQXJVDJDRHYLW-UHFFFAOYSA-N
XLogP3.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 30766141
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 25483949) is 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CC(C)(C)c1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is BOQXJVDJDRHYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-22(2,3)17-4-6-18(7-5-17)23-16-21(26)24-19-8-10-20(11-9-19)30(27,28)25-12-14-29-15-13-25/h4-11,23H,12-16H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 25483949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).