5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide

C21H26N2O4S — CID 31284339

IUPAC5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C21H26N2O4S/c1-14-9-10-15(28(25,26)23-21(2,3)4)13-17(14)20(24)22-18-11-12-27-19-8-6-5-7-16(18)19/h5-10,13,18,23H,11-12H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyJUIUVYNGBSKBMO-SFHVURJKSA-N
MW402.52 g/mol
LogP3.33
Rot. Bonds4

About 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide (PubChem CID 31284339) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide
PubChem CID31284339
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C21H26N2O4S/c1-14-9-10-15(28(25,26)23-21(2,3)4)13-17(14)20(24)22-18-11-12-27-19-8-6-5-7-16(18)19/h5-10,13,18,23H,11-12H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyJUIUVYNGBSKBMO-SFHVURJKSA-N
XLogP3.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 47049200
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 39952249
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide (CID 31284339) is 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCOc2ccccc21.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide?
The InChIKey is JUIUVYNGBSKBMO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-9-10-15(28(25,26)23-21(2,3)4)13-17(14)20(24)22-18-11-12-27-19-8-6-5-7-16(18)19/h5-10,13,18,23H,11-12H2,1-4H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide is sourced from PubChem (CID 31284339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).