N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C19H19N3O3S3 — CID 89040216

IUPACN-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C3=NCC(CC=O)S3)cc12
InChIInChI=1S/C19H19N3O3S3/c1-12-5-6-16(22(2)28(24,25)17-4-3-9-26-17)18-14(12)10-15(21-18)19-20-11-13(27-19)7-8-23/h3-6,8-10,13,21H,7,11H2,1-2H3
InChIKeyOCZJTRVORITTAR-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.81
Rot. Bonds6

About N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 89040216) has the molecular formula C19H19N3O3S3 and a molecular weight of 433.58 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID89040216
Molecular FormulaC19H19N3O3S3
Molecular Weight433.58 g/mol
Exact Mass433.06
IUPAC NameN-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C3=NCC(CC=O)S3)cc12
InChIInChI=1S/C19H19N3O3S3/c1-12-5-6-16(22(2)28(24,25)17-4-3-9-26-17)18-14(12)10-15(21-18)19-20-11-13(27-19)7-8-23/h3-6,8-10,13,21H,7,11H2,1-2H3
InChIKeyOCZJTRVORITTAR-UHFFFAOYSA-N
XLogP3.81
TPSA82.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 89040216) is N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C3=NCC(CC=O)S3)cc12.
What is the InChIKey of N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is OCZJTRVORITTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S3/c1-12-5-6-16(22(2)28(24,25)17-4-3-9-26-17)18-14(12)10-15(21-18)19-20-11-13(27-19)7-8-23/h3-6,8-10,13,21H,7,11H2,1-2H3.
What are the key properties of N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 433.58 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 89040216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).