N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide

C14H15N3O4S — CID 112523453

IUPACN-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide
SMILESCN1CCc2cc(NC(=O)c3ccc(S(N)(=O)=O)o3)ccc21
InChIInChI=1S/C14H15N3O4S/c1-17-7-6-9-8-10(2-3-11(9)17)16-14(18)12-4-5-13(21-12)22(15,19)20/h2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyMAVOIEHTCGHZSS-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.17
Rot. Bonds3

About N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide

N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide (PubChem CID 112523453) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide
PubChem CID112523453
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide
SMILESCN1CCc2cc(NC(=O)c3ccc(S(N)(=O)=O)o3)ccc21
InChIInChI=1S/C14H15N3O4S/c1-17-7-6-9-8-10(2-3-11(9)17)16-14(18)12-4-5-13(21-12)22(15,19)20/h2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyMAVOIEHTCGHZSS-UHFFFAOYSA-N
XLogP1.17
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-sulfamoylfuran-2-carboxamide
CID 112523527
N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112522621
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-(4-acetylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 84575705
N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112525636
N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
CID 110744717
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729349
(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
CID 110837782
5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide
CID 34186723

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide (CID 112523453) is N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide is CN1CCc2cc(NC(=O)c3ccc(S(N)(=O)=O)o3)ccc21.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide?
The InChIKey is MAVOIEHTCGHZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-17-7-6-9-8-10(2-3-11(9)17)16-14(18)12-4-5-13(21-12)22(15,19)20/h2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide?
N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 112523453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).