(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide

C22H28N2O4S — CID 125064648

IUPAC(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-15-11-12-17-18(14-22(2,3)28-19(17)13-15)23-21(25)20(24(4)29(5,26)27)16-9-7-6-8-10-16/h6-13,18,20H,14H2,1-5H3,(H,23,25)/t18-,20-/m0/s1
InChIKeyQRXNHYRPAAYRBB-ICSRJNTNSA-N
MW416.54 g/mol
LogP3.35
Rot. Bonds5

About (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 125064648) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID125064648
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-15-11-12-17-18(14-22(2,3)28-19(17)13-15)23-21(25)20(24(4)29(5,26)27)16-9-7-6-8-10-16/h6-13,18,20H,14H2,1-5H3,(H,23,25)/t18-,20-/m0/s1
InChIKeyQRXNHYRPAAYRBB-ICSRJNTNSA-N
XLogP3.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 125042298
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 125049385
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132665014
2-(2-fluorophenyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637040
2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132652294
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132665004
2-(2-methylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132655018
2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132668954
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133185025
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100603757
2-(4-chlorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656172
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide (CID 125064648) is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide is Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is QRXNHYRPAAYRBB-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-15-11-12-17-18(14-22(2,3)28-19(17)13-15)23-21(25)20(24(4)29(5,26)27)16-9-7-6-8-10-16/h6-13,18,20H,14H2,1-5H3,(H,23,25)/t18-,20-/m0/s1.
What are the key properties of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 125064648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).