N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide

C17H16N4O3S2 — CID 87594276

IUPACN-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2c(NS(=O)(=O)c3ccccc3)ccnc2C)s1
InChIInChI=1S/C17H16N4O3S2/c1-11-16(15-10-19-17(25-15)20-12(2)22)14(8-9-18-11)21-26(23,24)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyJXCKFKJTPNIVCH-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.27
Rot. Bonds5

About N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide

N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 87594276) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide
PubChem CID87594276
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2c(NS(=O)(=O)c3ccccc3)ccnc2C)s1
InChIInChI=1S/C17H16N4O3S2/c1-11-16(15-10-19-17(25-15)20-12(2)22)14(8-9-18-11)21-26(23,24)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyJXCKFKJTPNIVCH-UHFFFAOYSA-N
XLogP3.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide (CID 87594276) is N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(-c2c(NS(=O)(=O)c3ccccc3)ccnc2C)s1.
What is the InChIKey of N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JXCKFKJTPNIVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-11-16(15-10-19-17(25-15)20-12(2)22)14(8-9-18-11)21-26(23,24)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(benzenesulfonamido)-2-methyl-3-pyridinyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87594276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).