N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

C15H15N3O3S3 — CID 4930046

IUPACN-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15N3O3S3/c1-2-9-16-24(20,21)12-7-5-11(6-8-12)17-15(22)18-14(19)13-4-3-10-23-13/h2-8,10,16H,1,9H2,(H2,17,18,19,22)
InChIKeyRTEZUDDDBZOLQU-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.34
Rot. Bonds6

About N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 4930046) has the molecular formula C15H15N3O3S3 and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID4930046
Molecular FormulaC15H15N3O3S3
Molecular Weight381.50 g/mol
Exact Mass381.03
IUPAC NameN-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15N3O3S3/c1-2-9-16-24(20,21)12-7-5-11(6-8-12)17-15(22)18-14(19)13-4-3-10-23-13/h2-8,10,16H,1,9H2,(H2,17,18,19,22)
InChIKeyRTEZUDDDBZOLQU-UHFFFAOYSA-N
XLogP2.34
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17171029
3-methyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]butanamide
CID 4930104
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
4-(2-methoxyethoxy)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17353818
N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 4948781
2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 54786315
(E)-3-(2-chlorophenyl)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6233561
(E)-3-(2-methoxyphenyl)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6233562
2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 2989337
3-bromo-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17343076
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974

Frequently Asked Questions

What is the IUPAC name of N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 4930046) is N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is RTEZUDDDBZOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S3/c1-2-9-16-24(20,21)12-7-5-11(6-8-12)17-15(22)18-14(19)13-4-3-10-23-13/h2-8,10,16H,1,9H2,(H2,17,18,19,22).
What are the key properties of N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 4930046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).