N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide

C23H30FN3O4S — CID 100507733

IUPACN-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
SMILESCCC1(CC)C[C@H](NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c2ccccc2O1
InChIInChI=1S/C23H30FN3O4S/c1-5-23(6-2)15-19(17-11-7-10-14-21(17)31-23)25-22(28)16-27(32(29,30)26(3)4)20-13-9-8-12-18(20)24/h7-14,19H,5-6,15-16H2,1-4H3,(H,25,28)/t19-/m0/s1
InChIKeyLIEPUZUTNQRUNR-IBGZPJMESA-N
MW463.58 g/mol
LogP3.64
Rot. Bonds8

About N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide

N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide (PubChem CID 100507733) has the molecular formula C23H30FN3O4S and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
PubChem CID100507733
Molecular FormulaC23H30FN3O4S
Molecular Weight463.58 g/mol
Exact Mass463.19
IUPAC NameN-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
SMILESCCC1(CC)C[C@H](NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c2ccccc2O1
InChIInChI=1S/C23H30FN3O4S/c1-5-23(6-2)15-19(17-11-7-10-14-21(17)31-23)25-22(28)16-27(32(29,30)26(3)4)20-13-9-8-12-18(20)24/h7-14,19H,5-6,15-16H2,1-4H3,(H,25,28)/t19-/m0/s1
InChIKeyLIEPUZUTNQRUNR-IBGZPJMESA-N
XLogP3.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 30221696
2-[N-(benzenesulfonyl)anilino]-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100703847
2-[N-(benzenesulfonyl)anilino]-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100703833
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 133264465
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 133202258
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235503
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133162981
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133235513
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158348
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 133199606
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133187255

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The IUPAC name of N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide (CID 100507733) is N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide.
What is the SMILES notation for N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The canonical SMILES for N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide is CCC1(CC)C[C@H](NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c2ccccc2O1.
What is the InChIKey of N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The InChIKey is LIEPUZUTNQRUNR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30FN3O4S/c1-5-23(6-2)15-19(17-11-7-10-14-21(17)31-23)25-22(28)16-27(32(29,30)26(3)4)20-13-9-8-12-18(20)24/h7-14,19H,5-6,15-16H2,1-4H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide has a molecular weight of 463.58 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide is sourced from PubChem (CID 100507733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).