N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

C17H17N3O2S4 — CID 89145829

IUPACN-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCN(c1cccc2c1NC(c1ncc(CS)s1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H17N3O2S4/c1-20(26(21,22)15-6-3-7-24-15)14-5-2-4-11-8-13(19-16(11)14)17-18-9-12(10-23)25-17/h2-7,9,13,19,23H,8,10H2,1H3
InChIKeyWVECWOXQZXFFOJ-UHFFFAOYSA-N
MW423.61 g/mol
LogP4.17
Rot. Bonds5

About N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 89145829) has the molecular formula C17H17N3O2S4 and a molecular weight of 423.61 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID89145829
Molecular FormulaC17H17N3O2S4
Molecular Weight423.61 g/mol
Exact Mass423.02
IUPAC NameN-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCN(c1cccc2c1NC(c1ncc(CS)s1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H17N3O2S4/c1-20(26(21,22)15-6-3-7-24-15)14-5-2-4-11-8-13(19-16(11)14)17-18-9-12(10-23)25-17/h2-7,9,13,19,23H,8,10H2,1H3
InChIKeyWVECWOXQZXFFOJ-UHFFFAOYSA-N
XLogP4.17
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (CID 89145829) is N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is CN(c1cccc2c1NC(c1ncc(CS)s1)C2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is WVECWOXQZXFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S4/c1-20(26(21,22)15-6-3-7-24-15)14-5-2-4-11-8-13(19-16(11)14)17-18-9-12(10-23)25-17/h2-7,9,13,19,23H,8,10H2,1H3.
What are the key properties of N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 423.61 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 89145829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).