tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate

C15H23N3O5S — CID 118707459

IUPACtert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H23N3O5S/c1-15(2,3)23-14(20)17-10-4-5-13(19)18-11-6-8-12(9-7-11)24(16,21)22/h6-9H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyUZBQWPUZAIPTQN-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.58
Rot. Bonds6

About tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate

tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate (PubChem CID 118707459) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
PubChem CID118707459
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Nametert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H23N3O5S/c1-15(2,3)23-14(20)17-10-4-5-13(19)18-11-6-8-12(9-7-11)24(16,21)22/h6-9H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyUZBQWPUZAIPTQN-UHFFFAOYSA-N
XLogP1.58
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate
CID 9188430
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
tert-butyl N-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]carbamate
CID 122420497
tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate
CID 10784627
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoate
CID 9138835
tert-butyl N-[4-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
tert-butyl N-[4-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-4-oxobutyl]carbamate
CID 55968838
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-sulfamoylphenyl)butanamide
CID 108787748
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
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
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
CID 59408690

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate (CID 118707459) is tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate?
The InChIKey is UZBQWPUZAIPTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-15(2,3)23-14(20)17-10-4-5-13(19)18-11-6-8-12(9-7-11)24(16,21)22/h6-9H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)(H2,16,21,22).
What are the key properties of tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate?
tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate has a molecular weight of 357.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate is sourced from PubChem (CID 118707459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).