N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide

C20H18N4O3S2 — CID 155517431

IUPACN-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc4c(ccn4C)c3)c2)cs1
InChIInChI=1S/C20H18N4O3S2/c1-13(25)21-20-22-18(12-28-20)14-4-3-5-16(10-14)23-29(26,27)17-6-7-19-15(11-17)8-9-24(19)2/h3-12,23H,1-2H3,(H,21,22,25)
InChIKeyRDHVSQOKMOKHGN-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.06
Rot. Bonds5

About N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide

N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155517431) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155517431
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc4c(ccn4C)c3)c2)cs1
InChIInChI=1S/C20H18N4O3S2/c1-13(25)21-20-22-18(12-28-20)14-4-3-5-16(10-14)23-29(26,27)17-6-7-19-15(11-17)8-9-24(19)2/h3-12,23H,1-2H3,(H,21,22,25)
InChIKeyRDHVSQOKMOKHGN-UHFFFAOYSA-N
XLogP4.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide (CID 155517431) is N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc4c(ccn4C)c3)c2)cs1.
What is the InChIKey of N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RDHVSQOKMOKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-13(25)21-20-22-18(12-28-20)14-4-3-5-16(10-14)23-29(26,27)17-6-7-19-15(11-17)8-9-24(19)2/h3-12,23H,1-2H3,(H,21,22,25).
What are the key properties of N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(1-methylindol-5-yl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155517431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).