(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide

C18H29N3O4S — CID 33273657

IUPAC(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C18H29N3O4S/c1-5-19-18(23)14(4)20-17(22)13-10-15-8-11-16(12-9-15)26(24,25)21(6-2)7-3/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyIYOOKCOCYFRKJT-AWEZNQCLSA-N
MW383.51 g/mol
LogP1.29
Rot. Bonds10

About (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide

(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide (PubChem CID 33273657) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
PubChem CID33273657
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C18H29N3O4S/c1-5-19-18(23)14(4)20-17(22)13-10-15-8-11-16(12-9-15)26(24,25)21(6-2)7-3/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyIYOOKCOCYFRKJT-AWEZNQCLSA-N
XLogP1.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
3-[4-(diethylsulfamoyl)phenyl]-N-octan-2-ylpropanamide
CID 55436116
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[1-(2-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55395322
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide (CID 33273657) is (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide?
The InChIKey is IYOOKCOCYFRKJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-5-19-18(23)14(4)20-17(22)13-10-15-8-11-16(12-9-15)26(24,25)21(6-2)7-3/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide?
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide has a molecular weight of 383.51 g/mol, XLogP of 1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide is sourced from PubChem (CID 33273657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).