2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

C24H32N2O4S2 — CID 31544121

IUPAC2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H32N2O4S2/c1-18-5-10-21(32(28,29)26-11-13-30-14-12-26)15-22(18)25-23(27)17-31-16-19-6-8-20(9-7-19)24(2,3)4/h5-10,15H,11-14,16-17H2,1-4H3,(H,25,27)
InChIKeyBIXVKDLUVUXXFP-UHFFFAOYSA-N
MW476.66 g/mol
LogP4.19
Rot. Bonds7

About 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 31544121) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID31544121
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC Name2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H32N2O4S2/c1-18-5-10-21(32(28,29)26-11-13-30-14-12-26)15-22(18)25-23(27)17-31-16-19-6-8-20(9-7-19)24(2,3)4/h5-10,15H,11-14,16-17H2,1-4H3,(H,25,27)
InChIKeyBIXVKDLUVUXXFP-UHFFFAOYSA-N
XLogP4.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 4640927
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042
2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16523782
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 18291958
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760061
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30729564
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 31544121) is 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is BIXVKDLUVUXXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-18-5-10-21(32(28,29)26-11-13-30-14-12-26)15-22(18)25-23(27)17-31-16-19-6-8-20(9-7-19)24(2,3)4/h5-10,15H,11-14,16-17H2,1-4H3,(H,25,27).
What are the key properties of 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 476.66 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 31544121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).