2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide

C14H16ClN3O4S2 — CID 91435720

IUPAC2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide
SMILESCOC(C)(C(N)=O)c1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C14H16ClN3O4S2/c1-8-9(15)5-4-6-10(8)24(20,21)18-13-17-7-11(23-13)14(2,22-3)12(16)19/h4-7H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyAAIFVCYJCJRNIW-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.25
Rot. Bonds6

About 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide (PubChem CID 91435720) has the molecular formula C14H16ClN3O4S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide
PubChem CID91435720
Molecular FormulaC14H16ClN3O4S2
Molecular Weight389.89 g/mol
Exact Mass389.03
IUPAC Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide
SMILESCOC(C)(C(N)=O)c1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C14H16ClN3O4S2/c1-8-9(15)5-4-6-10(8)24(20,21)18-13-17-7-11(23-13)14(2,22-3)12(16)19/h4-7H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyAAIFVCYJCJRNIW-UHFFFAOYSA-N
XLogP2.25
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide?
The IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide (CID 91435720) is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide.
What is the SMILES notation for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide?
The canonical SMILES for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide is COC(C)(C(N)=O)c1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1.
What is the InChIKey of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide?
The InChIKey is AAIFVCYJCJRNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S2/c1-8-9(15)5-4-6-10(8)24(20,21)18-13-17-7-11(23-13)14(2,22-3)12(16)19/h4-7H,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide?
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide has a molecular weight of 389.89 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide is sourced from PubChem (CID 91435720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).