acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane

C26H39N7O4S2 — CID 143389391

IUPACacetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane
SMILESC#C.CC(C)C.CCN(CC)S(=O)(=O)c1scc(/N=C2\N=C(N)C(N)=N\C2=N/Cc2cc(C(C)C)co2)c1O
InChIInChI=1S/C20H27N7O4S2.C4H10.C2H2/c1-5-27(6-2)33(29,30)20-15(28)14(10-32-20)24-19-18(25-16(21)17(22)26-19)23-8-13-7-12(9-31-13)11(3)4;1-4(2)3;1-2/h7,9-11,28H,5-6,8H2,1-4H3,(H2,21,23,25)(H2,22,24,26);4H,1-3H3;1-2H
InChIKeyUTQUITJDRXWRJG-UHFFFAOYSA-N
MW577.78 g/mol
LogP4.47
Rot. Bonds8

About acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane

acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane (PubChem CID 143389391) has the molecular formula C26H39N7O4S2 and a molecular weight of 577.78 g/mol. Its IUPAC name is acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane.

Molecular Properties

Compound Nameacetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane
PubChem CID143389391
Molecular FormulaC26H39N7O4S2
Molecular Weight577.78 g/mol
Exact Mass577.25
IUPAC Nameacetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane
SMILESC#C.CC(C)C.CCN(CC)S(=O)(=O)c1scc(/N=C2\N=C(N)C(N)=N\C2=N/Cc2cc(C(C)C)co2)c1O
InChIInChI=1S/C20H27N7O4S2.C4H10.C2H2/c1-5-27(6-2)33(29,30)20-15(28)14(10-32-20)24-19-18(25-16(21)17(22)26-19)23-8-13-7-12(9-31-13)11(3)4;1-4(2)3;1-2/h7,9-11,28H,5-6,8H2,1-4H3,(H2,21,23,25)(H2,22,24,26);4H,1-3H3;1-2H
InChIKeyUTQUITJDRXWRJG-UHFFFAOYSA-N
XLogP4.47
TPSA172.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.78
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane 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 acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane?
The IUPAC name of acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane (CID 143389391) is acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane.
What is the SMILES notation for acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane?
The canonical SMILES for acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane is C#C.CC(C)C.CCN(CC)S(=O)(=O)c1scc(/N=C2\N=C(N)C(N)=N\C2=N/Cc2cc(C(C)C)co2)c1O.
What is the InChIKey of acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane?
The InChIKey is UTQUITJDRXWRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O4S2.C4H10.C2H2/c1-5-27(6-2)33(29,30)20-15(28)14(10-32-20)24-19-18(25-16(21)17(22)26-19)23-8-13-7-12(9-31-13)11(3)4;1-4(2)3;1-2/h7,9-11,28H,5-6,8H2,1-4H3,(H2,21,23,25)(H2,22,24,26);4H,1-3H3;1-2H.
What are the key properties of acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane?
acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane has a molecular weight of 577.78 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane is sourced from PubChem (CID 143389391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).