2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide

C14H15Cl2N3O4S — CID 53255442

IUPAC2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide
SMILESCc1cc(NS(=O)(=O)CCNC(=O)Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C14H15Cl2N3O4S/c1-9-6-13(18-23-9)19-24(21,22)5-4-17-14(20)8-10-2-3-11(15)12(16)7-10/h2-3,6-7H,4-5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyTZSMCCAKJZATDX-UHFFFAOYSA-N
MW392.26 g/mol
LogP2.39
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide (PubChem CID 53255442) has the molecular formula C14H15Cl2N3O4S and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide
PubChem CID53255442
Molecular FormulaC14H15Cl2N3O4S
Molecular Weight392.26 g/mol
Exact Mass391.02
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide
SMILESCc1cc(NS(=O)(=O)CCNC(=O)Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C14H15Cl2N3O4S/c1-9-6-13(18-23-9)19-24(21,22)5-4-17-14(20)8-10-2-3-11(15)12(16)7-10/h2-3,6-7H,4-5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyTZSMCCAKJZATDX-UHFFFAOYSA-N
XLogP2.39
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345058
2-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345062
2-bromo-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345065
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]thiophene-2-carboxamide
CID 110345057
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]pyridine-3-carboxamide
CID 110345099
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]-3-phenylbenzamide
CID 110345109
3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide
CID 110345150
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
CID 43362452
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide
CID 6465435
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 166323163

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide (CID 53255442) is 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide is Cc1cc(NS(=O)(=O)CCNC(=O)Cc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide?
The InChIKey is TZSMCCAKJZATDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O4S/c1-9-6-13(18-23-9)19-24(21,22)5-4-17-14(20)8-10-2-3-11(15)12(16)7-10/h2-3,6-7H,4-5,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide has a molecular weight of 392.26 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide is sourced from PubChem (CID 53255442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).