N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide

C21H27N3O3S — CID 18343254

IUPACN-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCCN1CCc2cc(S(=O)(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)ccc21
InChIInChI=1S/C21H27N3O3S/c1-5-24-12-11-15-13-18(9-10-19(15)24)28(26,27)23-17-8-6-7-16(14-17)22-20(25)21(2,3)4/h6-10,13-14,23H,5,11-12H2,1-4H3,(H,22,25)
InChIKeyQOBCKHQFIOVYQS-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.85
Rot. Bonds5

About N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide

N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 18343254) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID18343254
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCCN1CCc2cc(S(=O)(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)ccc21
InChIInChI=1S/C21H27N3O3S/c1-5-24-12-11-15-13-18(9-10-19(15)24)28(26,27)23-17-8-6-7-16(14-17)22-20(25)21(2,3)4/h6-10,13-14,23H,5,11-12H2,1-4H3,(H,22,25)
InChIKeyQOBCKHQFIOVYQS-UHFFFAOYSA-N
XLogP3.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-ethyl-1,3-dihydroisoindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343259
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2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
CID 142040428
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100542888
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 38891806
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
3-[[1-(3-carboxypropanoyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoic acid
CID 20864325
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55526457
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide (CID 18343254) is N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide is CCN1CCc2cc(S(=O)(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)ccc21.
What is the InChIKey of N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is QOBCKHQFIOVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-5-24-12-11-15-13-18(9-10-19(15)24)28(26,27)23-17-8-6-7-16(14-17)22-20(25)21(2,3)4/h6-10,13-14,23H,5,11-12H2,1-4H3,(H,22,25).
What are the key properties of N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 401.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18343254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).