N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide

C19H21N3O3S3 — CID 70860893

IUPACN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(c1cccc2c1NC(c1ncc(CO)s1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H21N3O3S3/c1-12(2)22(28(24,25)17-7-4-8-26-17)16-6-3-5-13-9-15(21-18(13)16)19-20-10-14(11-23)27-19/h3-8,10,12,15,21,23H,9,11H2,1-2H3
InChIKeyQAPAHNZQKMJCDE-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.01
Rot. Bonds6

About N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide

N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 70860893) has the molecular formula C19H21N3O3S3 and a molecular weight of 435.60 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID70860893
Molecular FormulaC19H21N3O3S3
Molecular Weight435.60 g/mol
Exact Mass435.07
IUPAC NameN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(c1cccc2c1NC(c1ncc(CO)s1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H21N3O3S3/c1-12(2)22(28(24,25)17-7-4-8-26-17)16-6-3-5-13-9-15(21-18(13)16)19-20-10-14(11-23)27-19/h3-8,10,12,15,21,23H,9,11H2,1-2H3
InChIKeyQAPAHNZQKMJCDE-UHFFFAOYSA-N
XLogP4.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide (CID 70860893) is N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide is CC(C)N(c1cccc2c1NC(c1ncc(CO)s1)C2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is QAPAHNZQKMJCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S3/c1-12(2)22(28(24,25)17-7-4-8-26-17)16-6-3-5-13-9-15(21-18(13)16)19-20-10-14(11-23)27-19/h3-8,10,12,15,21,23H,9,11H2,1-2H3.
What are the key properties of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide?
N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 435.60 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 70860893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).