tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate

C19H25N3O4S — CID 18679713

IUPACtert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1
InChIInChI=1S/C19H25N3O4S/c1-19(2,3)26-18(23)22-11-17(20-12-22)15-9-5-8-14-13(15)7-6-10-16(14)21-27(4,24)25/h6-7,10-12,15,21H,5,8-9H2,1-4H3
InChIKeyMABIAFAZWYQFNW-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.51
Rot. Bonds3

About tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate

tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate (PubChem CID 18679713) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate
PubChem CID18679713
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Nametert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1
InChIInChI=1S/C19H25N3O4S/c1-19(2,3)26-18(23)22-11-17(20-12-22)15-9-5-8-14-13(15)7-6-10-16(14)21-27(4,24)25/h6-7,10-12,15,21H,5,8-9H2,1-4H3
InChIKeyMABIAFAZWYQFNW-UHFFFAOYSA-N
XLogP3.51
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate (CID 18679713) is tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate is CC(C)(C)OC(=O)n1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1.
What is the InChIKey of tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate?
The InChIKey is MABIAFAZWYQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-19(2,3)26-18(23)22-11-17(20-12-22)15-9-5-8-14-13(15)7-6-10-16(14)21-27(4,24)25/h6-7,10-12,15,21H,5,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate?
tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-1-carboxylate is sourced from PubChem (CID 18679713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).