N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide

C17H27N3O5S — CID 33168312

IUPACN-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C17H27N3O5S/c1-17(2,3)16(22)18-10-9-15(21)19-13-11-12(7-8-14(13)25-6)26(23,24)20(4)5/h7-8,11H,9-10H2,1-6H3,(H,18,22)(H,19,21)
InChIKeyGGNRXMAABJZENO-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.44
Rot. Bonds7

About N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 33168312) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID33168312
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC NameN-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C17H27N3O5S/c1-17(2,3)16(22)18-10-9-15(21)19-13-11-12(7-8-14(13)25-6)26(23,24)20(4)5/h7-8,11H,9-10H2,1-6H3,(H,18,22)(H,19,21)
InChIKeyGGNRXMAABJZENO-UHFFFAOYSA-N
XLogP1.44
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24662396
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 17441202
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 16568291
N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884054
2-(2,6-dichlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 18777757
2-(2-acetamidophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 7873856
2-(2-bromophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 4795217

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 33168312) is N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is GGNRXMAABJZENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-17(2,3)16(22)18-10-9-15(21)19-13-11-12(7-8-14(13)25-6)26(23,24)20(4)5/h7-8,11H,9-10H2,1-6H3,(H,18,22)(H,19,21).
What are the key properties of N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 385.49 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 33168312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).