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

C15H25N3O4S — CID 103821639

IUPACtert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
SMILESCc1ccc(NCCCNC(=O)OC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-11-6-7-12(10-13(11)23(16,20)21)17-8-5-9-18-14(19)22-15(2,3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,19)(H2,16,20,21)
InChIKeyXYWNPRPGLINHET-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.97
Rot. Bonds6

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

tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate (PubChem CID 103821639) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
PubChem CID103821639
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Nametert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
SMILESCc1ccc(NCCCNC(=O)OC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-11-6-7-12(10-13(11)23(16,20)21)17-8-5-9-18-14(19)22-15(2,3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,19)(H2,16,20,21)
InChIKeyXYWNPRPGLINHET-UHFFFAOYSA-N
XLogP1.97
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate
CID 103821849
tert-butyl N-[3-(3-bromo-4-fluoroanilino)propyl]carbamate
CID 104776214
tert-butyl N-[3-[4-amino-3-(trifluoromethyl)anilino]propyl]carbamate
CID 104932863
tert-butyl N-[3-[4-bromo-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103821698
tert-butyl N-[3-[3-chloro-4-(methanesulfonamido)anilino]propyl]carbamate
CID 113269164
tert-butyl N-[3-(5-bromo-4-fluoro-2-methylanilino)propyl]carbamate
CID 107591546
tert-butyl N-[3-[4-(methylsulfamoyl)anilino]propyl]carbamate
CID 103821850
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
tert-butyl N-[3-(3-bromo-4-cyanoanilino)propyl]carbamate
CID 107280373
tert-butyl N-[3-(3-sulfanylanilino)propyl]carbamate
CID 163658111
tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
CID 101399946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate (CID 103821639) is tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate is Cc1ccc(NCCCNC(=O)OC(C)(C)C)cc1S(N)(=O)=O.
What is the InChIKey of tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate?
The InChIKey is XYWNPRPGLINHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-11-6-7-12(10-13(11)23(16,20)21)17-8-5-9-18-14(19)22-15(2,3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,19)(H2,16,20,21).
What are the key properties of tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate?
tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate has a molecular weight of 343.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate is sourced from PubChem (CID 103821639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).