N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide

C14H17N5O4S3 — CID 143077354

IUPACN-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
SMILESCCNS(=O)(=O)c1scc(Nc2nsnc2NCc2ccc(C)o2)c1O
InChIInChI=1S/C14H17N5O4S3/c1-3-16-26(21,22)14-11(20)10(7-24-14)17-13-12(18-25-19-13)15-6-9-5-4-8(2)23-9/h4-5,7,16,20H,3,6H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyVYEDXIVIOWTZLL-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.86
Rot. Bonds8

About N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide

N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide (PubChem CID 143077354) has the molecular formula C14H17N5O4S3 and a molecular weight of 415.52 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
PubChem CID143077354
Molecular FormulaC14H17N5O4S3
Molecular Weight415.52 g/mol
Exact Mass415.04
IUPAC NameN-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
SMILESCCNS(=O)(=O)c1scc(Nc2nsnc2NCc2ccc(C)o2)c1O
InChIInChI=1S/C14H17N5O4S3/c1-3-16-26(21,22)14-11(20)10(7-24-14)17-13-12(18-25-19-13)15-6-9-5-4-8(2)23-9/h4-5,7,16,20H,3,6H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyVYEDXIVIOWTZLL-UHFFFAOYSA-N
XLogP2.86
TPSA129.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-hydroxy-4-[[4-[[4-[4-(4-methylpiperazin-1-yl)butyl]furan-2-yl]methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
CID 143077239
2-[cyclopropyl(methyl)amino]sulfanyl-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophen-3-ol;ethane
CID 143076596
4-chloro-2-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol
CID 154544953
N-tert-butyl-4-[(4-ethoxy-1,2,5-thiadiazol-3-yl)amino]-3-hydroxythiophene-2-sulfonamide
CID 143076521
acetylene;2-(4-methylpiperazin-1-yl)sulfonyl-4-[[4-[(4-propan-2-ylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophen-3-ol;propane
CID 143076585
4-[[4-[amino-[(5-methylfuran-2-yl)methyl]amino]-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-3-hydroxythiophene-2-sulfonamide
CID 142883714
3-hydroxy-4-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfinamide
CID 143076789
acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane
CID 142883683
(2Z,5E)-3-hydroxy-2-methyl-5-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]octa-2,5-dienamide
CID 143076764
N,N-diethyl-4-[[4-[[(1R)-1-(furan-3-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-hydroxythiophene-2-sulfonamide
CID 24855019
4-[[5-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-6-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide
CID 91244954
N,N-diethyl-3-hydroxy-4-[[5-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]thiophene-2-sulfonamide
CID 71228010

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide (CID 143077354) is N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide is CCNS(=O)(=O)c1scc(Nc2nsnc2NCc2ccc(C)o2)c1O.
What is the InChIKey of N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?
The InChIKey is VYEDXIVIOWTZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S3/c1-3-16-26(21,22)14-11(20)10(7-24-14)17-13-12(18-25-19-13)15-6-9-5-4-8(2)23-9/h4-5,7,16,20H,3,6H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?
N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide has a molecular weight of 415.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-4-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 143077354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).