1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide

C18H27N5O4S2 — CID 143077285

IUPAC1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide
SMILESCC[C@@H](/N=C(N)/C(N)=N/c1csc(S(=O)(=O)N(CC)CC)c1O)c1cc(C)co1
InChIInChI=1S/C18H27N5O4S2/c1-5-12(14-8-11(4)9-27-14)21-16(19)17(20)22-13-10-28-18(15(13)24)29(25,26)23(6-2)7-3/h8-10,12,24H,5-7H2,1-4H3,(H2,19,21)(H2,20,22)/t12-/m1/s1
InChIKeyMQVUOHGTCZWEPM-GFCCVEGCSA-N
MW441.58 g/mol
LogP2.88
Rot. Bonds8

About 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide

1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide (PubChem CID 143077285) has the molecular formula C18H27N5O4S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide.

Molecular Properties

Compound Name1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide
PubChem CID143077285
Molecular FormulaC18H27N5O4S2
Molecular Weight441.58 g/mol
Exact Mass441.15
IUPAC Name1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide
SMILESCC[C@@H](/N=C(N)/C(N)=N/c1csc(S(=O)(=O)N(CC)CC)c1O)c1cc(C)co1
InChIInChI=1S/C18H27N5O4S2/c1-5-12(14-8-11(4)9-27-14)21-16(19)17(20)22-13-10-28-18(15(13)24)29(25,26)23(6-2)7-3/h8-10,12,24H,5-7H2,1-4H3,(H2,19,21)(H2,20,22)/t12-/m1/s1
InChIKeyMQVUOHGTCZWEPM-GFCCVEGCSA-N
XLogP2.88
TPSA147.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]ethanediimidamide
CID 163616522
2-N'-[5-(dimethylsulfamoyl)-4-hydroxythiophen-3-yl]-1-N'-[(1R)-1-(5-methylfuran-2-yl)propyl]-2-N-methylsulfanylethanediimidamide
CID 89246290
4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide
CID 20795777
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
N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide
CID 89297671
N,N-diethyl-3-hydroxy-5-methyl-4-[methyl-[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
CID 71069488
ethyl 4-[[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]amino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate
CID 135996533
4-[[4-[(1R)-1-(4-chlorofuran-2-yl)-2,2-dimethylpropyl]imino-1-oxido-1,2,5-thiadiazol-1-ium-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide
CID 173478840
N,N-diethyl-3-hydroxy-4-[[4-[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)prop-2-enyl]imino-1-oxido-1,2,5-thiadiazol-1-ium-3-yl]amino]thiophene-2-sulfonamide
CID 173479414
2-N'-[(1R)-1-(4,5-dimethylthiophen-2-yl)-2-methylpropyl]-1-N'-[5-(4-ethylpiperazin-1-yl)sulfonyl-4-hydroxythiophen-3-yl]-2-N-sulfanylethanediimidamide
CID 143077211
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
N,N-diethyl-3-hydroxy-4-[[5-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-6-yl]amino]thiophene-2-sulfonamide
CID 91248496

Frequently Asked Questions

What is the IUPAC name of 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide?
The IUPAC name of 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide (CID 143077285) is 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide.
What is the SMILES notation for 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide?
The canonical SMILES for 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide is CC[C@@H](/N=C(N)/C(N)=N/c1csc(S(=O)(=O)N(CC)CC)c1O)c1cc(C)co1.
What is the InChIKey of 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide?
The InChIKey is MQVUOHGTCZWEPM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H27N5O4S2/c1-5-12(14-8-11(4)9-27-14)21-16(19)17(20)22-13-10-28-18(15(13)24)29(25,26)23(6-2)7-3/h8-10,12,24H,5-7H2,1-4H3,(H2,19,21)(H2,20,22)/t12-/m1/s1.
What are the key properties of 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide?
1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide has a molecular weight of 441.58 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide is sourced from PubChem (CID 143077285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).