N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide

C13H13ClN2O3S2 — CID 112997887

IUPACN-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C13H13ClN2O3S2/c1-9-5-6-13(20-9)21(18,19)15-8-12(17)16-11-4-2-3-10(14)7-11/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyIYCYWTFDUBLNMZ-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.63
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide

N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide (PubChem CID 112997887) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
PubChem CID112997887
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC NameN-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C13H13ClN2O3S2/c1-9-5-6-13(20-9)21(18,19)15-8-12(17)16-11-4-2-3-10(14)7-11/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyIYCYWTFDUBLNMZ-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 39793706
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000478
N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 113002331
N-(3-chlorophenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 26390002
N-(3,5-dichlorophenyl)-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetamide
CID 113001388
N-(3-chlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9042351
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241
N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1055767
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide (CID 112997887) is N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The InChIKey is IYCYWTFDUBLNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-9-5-6-13(20-9)21(18,19)15-8-12(17)16-11-4-2-3-10(14)7-11/h2-7,15H,8H2,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide is sourced from PubChem (CID 112997887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).