N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide

C13H12Cl2N2O3S2 — CID 9412118

IUPACN-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2O3S2/c1-17(22(19,20)13-6-5-11(15)21-13)8-12(18)16-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyDNYKALKEZVAHMO-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.31
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide

N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide (PubChem CID 9412118) has the molecular formula C13H12Cl2N2O3S2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
PubChem CID9412118
Molecular FormulaC13H12Cl2N2O3S2
Molecular Weight379.29 g/mol
Exact Mass377.97
IUPAC NameN-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2O3S2/c1-17(22(19,20)13-6-5-11(15)21-13)8-12(18)16-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyDNYKALKEZVAHMO-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46584820
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38238252
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55813723
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55812298
N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 122176217
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide (CID 9412118) is N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide?
The InChIKey is DNYKALKEZVAHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S2/c1-17(22(19,20)13-6-5-11(15)21-13)8-12(18)16-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide?
N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide has a molecular weight of 379.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 9412118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).