2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide

C14H20ClN3O4S — CID 17411620

IUPAC2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O4S/c1-3-16-14(20)10(2)18-13(19)8-9-17-23(21,22)12-6-4-11(15)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRBAFORTZOLVYOA-UHFFFAOYSA-N
MW361.85 g/mol
LogP0.65
Rot. Bonds8

About 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide

2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide (PubChem CID 17411620) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
PubChem CID17411620
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC Name2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O4S/c1-3-16-14(20)10(2)18-13(19)8-9-17-23(21,22)12-6-4-11(15)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRBAFORTZOLVYOA-UHFFFAOYSA-N
XLogP0.65
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 8751709
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482091
3-[(4-chlorophenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
CID 24543595
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide (CID 17411620) is 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide?
The InChIKey is RBAFORTZOLVYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-3-16-14(20)10(2)18-13(19)8-9-17-23(21,22)12-6-4-11(15)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide?
2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide has a molecular weight of 361.85 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide is sourced from PubChem (CID 17411620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).