N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide

C18H17N5O2S — CID 667300

IUPACN-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
SMILESCC1CCc2sc3ncn4nc(C(=O)NCc5ccco5)nc4c3c2C1
InChIInChI=1S/C18H17N5O2S/c1-10-4-5-13-12(7-10)14-16-21-15(22-23(16)9-20-18(14)26-13)17(24)19-8-11-3-2-6-25-11/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,19,24)
InChIKeyFHTSQDKRYBTIBU-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.99
Rot. Bonds3

About N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide

N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide (PubChem CID 667300) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
PubChem CID667300
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
SMILESCC1CCc2sc3ncn4nc(C(=O)NCc5ccco5)nc4c3c2C1
InChIInChI=1S/C18H17N5O2S/c1-10-4-5-13-12(7-10)14-16-21-15(22-23(16)9-20-18(14)26-13)17(24)19-8-11-3-2-6-25-11/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,19,24)
InChIKeyFHTSQDKRYBTIBU-UHFFFAOYSA-N
XLogP2.99
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide 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 N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide (CID 667300) is N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide is CC1CCc2sc3ncn4nc(C(=O)NCc5ccco5)nc4c3c2C1.
What is the InChIKey of N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide?
The InChIKey is FHTSQDKRYBTIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-4-5-13-12(7-10)14-16-21-15(22-23(16)9-20-18(14)26-13)17(24)19-8-11-3-2-6-25-11/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,19,24).
What are the key properties of N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide?
N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide is sourced from PubChem (CID 667300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).