tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate

C15H24N4O4S — CID 176857876

IUPACtert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/CNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C15H24N4O4S/c1-15(2,3)23-14(20)19-9-5-4-8-18-13-7-6-11(10-12(13)16)24(17,21)22/h4-7,10,18H,8-9,16H2,1-3H3,(H,19,20)(H2,17,21,22)/b5-4+
InChIKeyZCUHWENUXLKFHW-SNAWJCMRSA-N
MW356.45 g/mol
LogP1.41
Rot. Bonds6

About tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate

tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate (PubChem CID 176857876) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate
PubChem CID176857876
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Nametert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/CNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C15H24N4O4S/c1-15(2,3)23-14(20)19-9-5-4-8-18-13-7-6-11(10-12(13)16)24(17,21)22/h4-7,10,18H,8-9,16H2,1-3H3,(H,19,20)(H2,17,21,22)/b5-4+
InChIKeyZCUHWENUXLKFHW-SNAWJCMRSA-N
XLogP1.41
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
CID 104932877
tert-butyl N-[3-(2-amino-4-methylsulfonylanilino)propyl]carbamate
CID 104932809
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459
tert-butyl N-[2-(2-iodo-4-sulfamoylanilino)-2-oxoethyl]carbamate
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tert-butyl N-[2-(2-bromo-4-sulfamoylanilino)propyl]carbamate
CID 103388940
tert-butyl N-[(E)-4-(4-carbamoyl-2-nitroanilino)but-2-enyl]carbamate
CID 131999827
tert-butyl N-[3-(2-iodo-4-sulfamoylanilino)-3-oxopropyl]carbamate
CID 10742938
tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate
CID 10667340
tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate
CID 91941577
3-amino-4-[(2-methoxy-2-methylpropyl)amino]benzenesulfonamide
CID 113449899
3-amino-4-[(2-hydroxy-2-methylpentyl)amino]benzenesulfonamide
CID 106290169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate (CID 176857876) is tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C/CNc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate?
The InChIKey is ZCUHWENUXLKFHW-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-15(2,3)23-14(20)19-9-5-4-8-18-13-7-6-11(10-12(13)16)24(17,21)22/h4-7,10,18H,8-9,16H2,1-3H3,(H,19,20)(H2,17,21,22)/b5-4+.
What are the key properties of tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate?
tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate has a molecular weight of 356.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate is sourced from PubChem (CID 176857876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).