tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate

C17H28N4O5S — CID 50742681

IUPACtert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1N
InChIInChI=1S/C17H28N4O5S/c1-17(2,3)26-16(22)20-7-6-19-15-5-4-13(12-14(15)18)27(23,24)21-8-10-25-11-9-21/h4-5,12,19H,6-11,18H2,1-3H3,(H,20,22)
InChIKeyBVHLRHJUAUWHES-UHFFFAOYSA-N
MW400.50 g/mol
LogP1.23
Rot. Bonds6

About tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate

tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate (PubChem CID 50742681) has the molecular formula C17H28N4O5S and a molecular weight of 400.50 g/mol. Its IUPAC name is tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate
PubChem CID50742681
Molecular FormulaC17H28N4O5S
Molecular Weight400.50 g/mol
Exact Mass400.18
IUPAC Nametert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1N
InChIInChI=1S/C17H28N4O5S/c1-17(2,3)26-16(22)20-7-6-19-15-5-4-13(12-14(15)18)27(23,24)21-8-10-25-11-9-21/h4-5,12,19H,6-11,18H2,1-3H3,(H,20,22)
InChIKeyBVHLRHJUAUWHES-UHFFFAOYSA-N
XLogP1.23
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 45106440
1-N-propyl-4-pyrrolidin-1-ylsulfonylbenzene-1,2-diamine
CID 3433369
tert-butyl N-[(E)-3-fluoro-2-[(4-morpholin-4-ylsulfonylanilino)methyl]prop-2-enyl]carbamate
CID 175004372
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
tert-butyl N-[[1-(4-aminophenyl)sulfonylpiperidin-4-yl]methyl]carbamate
CID 23553541
4-methylsulfonyl-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
CID 43448000
tert-butyl N-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]carbamate
CID 55973425
2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
CID 103606245
2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
CID 55463879
tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate
CID 86814470

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate (CID 50742681) is tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1N.
What is the InChIKey of tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate?
The InChIKey is BVHLRHJUAUWHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5S/c1-17(2,3)26-16(22)20-7-6-19-15-5-4-13(12-14(15)18)27(23,24)21-8-10-25-11-9-21/h4-5,12,19H,6-11,18H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate?
tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate has a molecular weight of 400.50 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-amino-4-morpholin-4-ylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 50742681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).