tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate

C16H25N3O5S — CID 55408911

IUPACtert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
SMILESCc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C16H25N3O5S/c1-11-7-8-12(10-13(11)25(17,22)23)19-14(20)6-5-9-18-15(21)24-16(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyOSSHXINNQXWCLR-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.89
Rot. Bonds6

About tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate

tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate (PubChem CID 55408911) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
PubChem CID55408911
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Nametert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
SMILESCc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C16H25N3O5S/c1-11-7-8-12(10-13(11)25(17,22)23)19-14(20)6-5-9-18-15(21)24-16(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyOSSHXINNQXWCLR-UHFFFAOYSA-N
XLogP1.89
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.89
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-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459
tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
CID 103821639
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoate
CID 9138835
tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate
CID 9188430
tert-butyl N-[4-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-4-oxobutyl]carbamate
CID 9470236
tert-butyl N-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutyl]carbamate
CID 9138271
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate
CID 9210708
tert-butyl N-[2-oxo-2-[3-(pentanoylamino)anilino]ethyl]carbamate
CID 108917175
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate (CID 55408911) is tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate is Cc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1S(N)(=O)=O.
What is the InChIKey of tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate?
The InChIKey is OSSHXINNQXWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-11-7-8-12(10-13(11)25(17,22)23)19-14(20)6-5-9-18-15(21)24-16(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate?
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate has a molecular weight of 371.46 g/mol, XLogP of 1.89, 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-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate is sourced from PubChem (CID 55408911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).