tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate

C19H23N3O5S — CID 16656293

IUPACtert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOc1ccc2c(c1)sc1c(N)c(C(N)=O)oc12
InChIInChI=1S/C19H23N3O5S/c1-19(2,3)27-18(24)22-7-4-8-25-10-5-6-11-12(9-10)28-16-13(20)15(17(21)23)26-14(11)16/h5-6,9H,4,7-8,20H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyGHZOCPZNVVCNDV-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.62
Rot. Bonds6

About tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate

tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate (PubChem CID 16656293) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate
PubChem CID16656293
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Nametert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOc1ccc2c(c1)sc1c(N)c(C(N)=O)oc12
InChIInChI=1S/C19H23N3O5S/c1-19(2,3)27-18(24)22-7-4-8-25-10-5-6-11-12(9-10)28-16-13(20)15(17(21)23)26-14(11)16/h5-6,9H,4,7-8,20H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyGHZOCPZNVVCNDV-UHFFFAOYSA-N
XLogP3.62
TPSA129.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]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-[3-[[2-carbamoyl-3-(carbamoylamino)-[1]benzothiolo[3,2-b]furan-7-yl]oxy]propyl]carbamate
CID 143207879
tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate
CID 164576734
2-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 70846052
tert-butyl N-[2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]ethyl]carbamate
CID 134180800
tert-butyl N-[3-[(2-cyano-1,3-benzothiazol-6-yl)oxy]propyl]carbamate
CID 58797688
tert-butyl N-[5-[(2-chloro-1,3-benzothiazol-6-yl)oxy]pentyl]carbamate
CID 171844114
tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate
CID 144947801
tert-butyl N-[2-(4-amino-3-chlorophenoxy)ethyl]carbamate
CID 134180761
tert-butyl N-[3-(4-aminophenoxy)propyl]carbamate;tert-butyl N-[3-(4-thionitrosophenoxy)propyl]carbamate
CID 160781201
tert-butyl N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]carbamate
CID 22631368
tert-butyl N-[2-[6,7-bis(hydroxymethyl)naphthalen-2-yl]oxyethyl]carbamate
CID 122667217
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate (CID 16656293) is tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate is CC(C)(C)OC(=O)NCCCOc1ccc2c(c1)sc1c(N)c(C(N)=O)oc12.
What is the InChIKey of tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate?
The InChIKey is GHZOCPZNVVCNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-19(2,3)27-18(24)22-7-4-8-25-10-5-6-11-12(9-10)28-16-13(20)15(17(21)23)26-14(11)16/h5-6,9H,4,7-8,20H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate?
tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate has a molecular weight of 405.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-amino-2-carbamoyl-[1]benzothiolo[3,2-b]furan-6-yl)oxy]propyl]carbamate is sourced from PubChem (CID 16656293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).