N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide

C15H15N3O3S2 — CID 71863372

IUPACN-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)NCc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C15H15N3O3S2/c1-16-23(20,21)12-7-14(22-9-12)15(19)17-8-11-6-10-4-2-3-5-13(10)18-11/h2-7,9,16,18H,8H2,1H3,(H,17,19)
InChIKeyYLSVXBVEJDIXPJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.07
Rot. Bonds5

About N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide

N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide (PubChem CID 71863372) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide
PubChem CID71863372
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)NCc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C15H15N3O3S2/c1-16-23(20,21)12-7-14(22-9-12)15(19)17-8-11-6-10-4-2-3-5-13(10)18-11/h2-7,9,16,18H,8H2,1H3,(H,17,19)
InChIKeyYLSVXBVEJDIXPJ-UHFFFAOYSA-N
XLogP2.07
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide (CID 71863372) is N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide is CNS(=O)(=O)c1csc(C(=O)NCc2cc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is YLSVXBVEJDIXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-16-23(20,21)12-7-14(22-9-12)15(19)17-8-11-6-10-4-2-3-5-13(10)18-11/h2-7,9,16,18H,8H2,1H3,(H,17,19).
What are the key properties of N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide?
N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-4-(methylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 71863372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).