tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide

C24H39N5O6S2 — CID 175538036

IUPACtert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1nc(C)c(-c2ccc(OC)c(NS(N)(=O)=O)c2)s1.CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N4O4S2.C7H15NO2/c1-4-5-6-7-15(22)20-17-19-11(2)16(26-17)12-8-9-14(25-3)13(10-12)21-27(18,23)24;1-5-8-6(9)10-7(2,3)4/h8-10,21H,4-7H2,1-3H3,(H2,18,23,24)(H,19,20,22);5H2,1-4H3,(H,8,9)
InChIKeyZECLOYBPUDAPQJ-UHFFFAOYSA-N
MW557.74 g/mol
LogP4.79
Rot. Bonds10

About tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide

tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide (PubChem CID 175538036) has the molecular formula C24H39N5O6S2 and a molecular weight of 557.74 g/mol. Its IUPAC name is tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide.

Molecular Properties

Compound Nametert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide
PubChem CID175538036
Molecular FormulaC24H39N5O6S2
Molecular Weight557.74 g/mol
Exact Mass557.23
IUPAC Nametert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1nc(C)c(-c2ccc(OC)c(NS(N)(=O)=O)c2)s1.CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N4O4S2.C7H15NO2/c1-4-5-6-7-15(22)20-17-19-11(2)16(26-17)12-8-9-14(25-3)13(10-12)21-27(18,23)24;1-5-8-6(9)10-7(2,3)4/h8-10,21H,4-7H2,1-3H3,(H2,18,23,24)(H,19,20,22);5H2,1-4H3,(H,8,9)
InChIKeyZECLOYBPUDAPQJ-UHFFFAOYSA-N
XLogP4.79
TPSA161.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.74
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide?
The IUPAC name of tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide (CID 175538036) is tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide.
What is the SMILES notation for tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide?
The canonical SMILES for tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide is CCCCCC(=O)Nc1nc(C)c(-c2ccc(OC)c(NS(N)(=O)=O)c2)s1.CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide?
The InChIKey is ZECLOYBPUDAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2.C7H15NO2/c1-4-5-6-7-15(22)20-17-19-11(2)16(26-17)12-8-9-14(25-3)13(10-12)21-27(18,23)24;1-5-8-6(9)10-7(2,3)4/h8-10,21H,4-7H2,1-3H3,(H2,18,23,24)(H,19,20,22);5H2,1-4H3,(H,8,9).
What are the key properties of tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide?
tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide has a molecular weight of 557.74 g/mol, XLogP of 4.79, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide is sourced from PubChem (CID 175538036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).