N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

C17H15N3O4S3 — CID 17171029

IUPACN-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccs1
InChIInChI=1S/C17H15N3O4S3/c21-16(15-4-2-10-26-15)20-17(25)19-12-5-7-14(8-6-12)27(22,23)18-11-13-3-1-9-24-13/h1-10,18H,11H2,(H2,19,20,21,25)
InChIKeyNAAYPPQJUKRCFO-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.95
Rot. Bonds6

About N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 17171029) has the molecular formula C17H15N3O4S3 and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID17171029
Molecular FormulaC17H15N3O4S3
Molecular Weight421.53 g/mol
Exact Mass421.02
IUPAC NameN-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccs1
InChIInChI=1S/C17H15N3O4S3/c21-16(15-4-2-10-26-15)20-17(25)19-12-5-7-14(8-6-12)27(22,23)18-11-13-3-1-9-24-13/h1-10,18H,11H2,(H2,19,20,21,25)
InChIKeyNAAYPPQJUKRCFO-UHFFFAOYSA-N
XLogP2.95
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 17171135
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 28638535
4-fluoro-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17171054
N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 4788612
N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4930046
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 17171037
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17171044
1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
1-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea
CID 25035237
5-bromo-2-ethoxy-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17171112
(E)-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187325

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 17171029) is N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccs1.
What is the InChIKey of N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is NAAYPPQJUKRCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S3/c21-16(15-4-2-10-26-15)20-17(25)19-12-5-7-14(8-6-12)27(22,23)18-11-13-3-1-9-24-13/h1-10,18H,11H2,(H2,19,20,21,25).
What are the key properties of N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 17171029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).