N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide

C17H20Cl2N2O3S2 — CID 55771526

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(Cl)s2)c1
InChIInChI=1S/C17H20Cl2N2O3S2/c1-3-21(4-2)26(23,24)13-7-8-14(18)15(11-13)20-17(22)10-6-12-5-9-16(19)25-12/h5,7-9,11H,3-4,6,10H2,1-2H3,(H,20,22)
InChIKeyGKGLAWGELHQDHZ-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.66
Rot. Bonds8

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide (PubChem CID 55771526) has the molecular formula C17H20Cl2N2O3S2 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
PubChem CID55771526
Molecular FormulaC17H20Cl2N2O3S2
Molecular Weight435.40 g/mol
Exact Mass434.03
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(Cl)s2)c1
InChIInChI=1S/C17H20Cl2N2O3S2/c1-3-21(4-2)26(23,24)13-7-8-14(18)15(11-13)20-17(22)10-6-12-5-9-16(19)25-12/h5,7-9,11H,3-4,6,10H2,1-2H3,(H,20,22)
InChIKeyGKGLAWGELHQDHZ-UHFFFAOYSA-N
XLogP4.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide
CID 55370603
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55343278
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 4549177
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide
CID 152973851
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
cis-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7778150
cis-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778148

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide (CID 55771526) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(Cl)s2)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is GKGLAWGELHQDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3S2/c1-3-21(4-2)26(23,24)13-7-8-14(18)15(11-13)20-17(22)10-6-12-5-9-16(19)25-12/h5,7-9,11H,3-4,6,10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 435.40 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 55771526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).