2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide

C29H34N2O4S — CID 43893792

IUPAC2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC(C)(C)Oc3ccc(C)cc32)c2cc(C)ccc2C)cc1
InChIInChI=1S/C29H34N2O4S/c1-19-8-12-23(13-9-19)36(33,34)31(26-16-21(3)7-11-22(26)4)18-28(32)30-25-17-29(5,6)35-27-14-10-20(2)15-24(25)27/h7-16,25H,17-18H2,1-6H3,(H,30,32)
InChIKeyITDJDMIFCNYQCE-UHFFFAOYSA-N
MW506.67 g/mol
LogP5.53
Rot. Bonds6

About 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 43893792) has the molecular formula C29H34N2O4S and a molecular weight of 506.67 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID43893792
Molecular FormulaC29H34N2O4S
Molecular Weight506.67 g/mol
Exact Mass506.22
IUPAC Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC(C)(C)Oc3ccc(C)cc32)c2cc(C)ccc2C)cc1
InChIInChI=1S/C29H34N2O4S/c1-19-8-12-23(13-9-19)36(33,34)31(26-16-21(3)7-11-22(26)4)18-28(32)30-25-17-29(5,6)35-27-14-10-20(2)15-24(25)27/h7-16,25H,17-18H2,1-6H3,(H,30,32)
InChIKeyITDJDMIFCNYQCE-UHFFFAOYSA-N
XLogP5.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30218964
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894859
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894882
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894485
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894743
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894014
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893936
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43897303
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895274
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894361
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894201
2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43898059

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 43893792) is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC(C)(C)Oc3ccc(C)cc32)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is ITDJDMIFCNYQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4S/c1-19-8-12-23(13-9-19)36(33,34)31(26-16-21(3)7-11-22(26)4)18-28(32)30-25-17-29(5,6)35-27-14-10-20(2)15-24(25)27/h7-16,25H,17-18H2,1-6H3,(H,30,32).
What are the key properties of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 506.67 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 43893792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).