N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide

C16H27N3O5S — CID 119626393

IUPACN-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)NCC(C)(C)N)cc1OCC
InChIInChI=1S/C16H27N3O5S/c1-5-23-13-8-7-12(9-14(13)24-6-2)25(21,22)19-10-15(20)18-11-16(3,4)17/h7-9,19H,5-6,10-11,17H2,1-4H3,(H,18,20)
InChIKeyOKMSEFVHLXFQMM-UHFFFAOYSA-N
MW373.48 g/mol
LogP0.62
Rot. Bonds10

About N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide

N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide (PubChem CID 119626393) has the molecular formula C16H27N3O5S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide
PubChem CID119626393
Molecular FormulaC16H27N3O5S
Molecular Weight373.48 g/mol
Exact Mass373.17
IUPAC NameN-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)NCC(C)(C)N)cc1OCC
InChIInChI=1S/C16H27N3O5S/c1-5-23-13-8-7-12(9-14(13)24-6-2)25(21,22)19-10-15(20)18-11-16(3,4)17/h7-9,19H,5-6,10-11,17H2,1-4H3,(H,18,20)
InChIKeyOKMSEFVHLXFQMM-UHFFFAOYSA-N
XLogP0.62
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide
CID 119521854
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 120658682
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119409785
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55337425
2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
CID 119424877
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 119466628
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119631400
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 9418922

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide (CID 119626393) is N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide is CCOc1ccc(S(=O)(=O)NCC(=O)NCC(C)(C)N)cc1OCC.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide?
The InChIKey is OKMSEFVHLXFQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5S/c1-5-23-13-8-7-12(9-14(13)24-6-2)25(21,22)19-10-15(20)18-11-16(3,4)17/h7-9,19H,5-6,10-11,17H2,1-4H3,(H,18,20).
What are the key properties of N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide?
N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 373.48 g/mol, XLogP of 0.62, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 119626393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).