N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C18H17N3O3S3 — CID 57475966

IUPACN-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCCN(c1cccc2cc(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H17N3O3S3/c1-2-21(27(23,24)16-7-4-8-25-16)15-6-3-5-12-9-14(20-17(12)15)18-19-10-13(11-22)26-18/h3-10,20,22H,2,11H2,1H3
InChIKeyBSLRAXOUYHAYOV-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.06
Rot. Bonds6

About N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 57475966) has the molecular formula C18H17N3O3S3 and a molecular weight of 419.55 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID57475966
Molecular FormulaC18H17N3O3S3
Molecular Weight419.55 g/mol
Exact Mass419.04
IUPAC NameN-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCCN(c1cccc2cc(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H17N3O3S3/c1-2-21(27(23,24)16-7-4-8-25-16)15-6-3-5-12-9-14(20-17(12)15)18-19-10-13(11-22)26-18/h3-10,20,22H,2,11H2,1H3
InChIKeyBSLRAXOUYHAYOV-UHFFFAOYSA-N
XLogP4.06
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194552
N-(2-methyl-5-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194593
N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 11978592
N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 57901739
N-[4-Fluoro-1-(methoxymethyl)-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 57901794
N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135751
N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135815
N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 67109309
N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 67486655
1-[[2-[7-[(3-ethylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67486732
N-(2-ethoxyethyl)-N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 67486750
1-[[2-[7-[[3-(cyclopropylmethyl)thiophen-2-yl]sulfonylamino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67486778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 57475966) is N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is CCN(c1cccc2cc(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is BSLRAXOUYHAYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S3/c1-2-21(27(23,24)16-7-4-8-25-16)15-6-3-5-12-9-14(20-17(12)15)18-19-10-13(11-22)26-18/h3-10,20,22H,2,11H2,1H3.
What are the key properties of N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 419.55 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 57475966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).