N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide

C17H22ClN3O3S2 — CID 112769589

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide
SMILESCC(NCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccs1
InChIInChI=1S/C17H22ClN3O3S2/c1-12(16-5-4-10-25-16)19-9-8-17(22)20-15-11-13(6-7-14(15)18)26(23,24)21(2)3/h4-7,10-12,19H,8-9H2,1-3H3,(H,20,22)
InChIKeyNCBPIJXMGCIPBR-UHFFFAOYSA-N
MW415.97 g/mol
LogP3.33
Rot. Bonds8

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide (PubChem CID 112769589) has the molecular formula C17H22ClN3O3S2 and a molecular weight of 415.97 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide
PubChem CID112769589
Molecular FormulaC17H22ClN3O3S2
Molecular Weight415.97 g/mol
Exact Mass415.08
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide
SMILESCC(NCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccs1
InChIInChI=1S/C17H22ClN3O3S2/c1-12(16-5-4-10-25-16)19-9-8-17(22)20-15-11-13(6-7-14(15)18)26(23,24)21(2)3/h4-7,10-12,19H,8-9H2,1-3H3,(H,20,22)
InChIKeyNCBPIJXMGCIPBR-UHFFFAOYSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
CID 51170623
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
tert-butyl-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 8904455
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide (CID 112769589) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide is CC(NCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccs1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide?
The InChIKey is NCBPIJXMGCIPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S2/c1-12(16-5-4-10-25-16)19-9-8-17(22)20-15-11-13(6-7-14(15)18)26(23,24)21(2)3/h4-7,10-12,19H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide has a molecular weight of 415.97 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide is sourced from PubChem (CID 112769589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).