(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide

C14H17N3O3S — CID 94812620

IUPAC(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H17N3O3S/c1-3-15-14(18)10(2)17-21(19,20)13-8-4-7-12-11(13)6-5-9-16-12/h4-10,17H,3H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyUTOCFPMWZFDLSB-JTQLQIEISA-N
MW307.38 g/mol
LogP1.04
Rot. Bonds5

About (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide

(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide (PubChem CID 94812620) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
PubChem CID94812620
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H17N3O3S/c1-3-15-14(18)10(2)17-21(19,20)13-8-4-7-12-11(13)6-5-9-16-12/h4-10,17H,3H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyUTOCFPMWZFDLSB-JTQLQIEISA-N
XLogP1.04
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62152812
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
2-(quinolin-5-ylsulfonylamino)propanimidamide
CID 104774334
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62151211
2-(quinolin-5-ylsulfonylamino)pentanethioamide
CID 104773636

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide?
The IUPAC name of (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide (CID 94812620) is (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide?
The canonical SMILES for (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide is CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide?
The InChIKey is UTOCFPMWZFDLSB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-15-14(18)10(2)17-21(19,20)13-8-4-7-12-11(13)6-5-9-16-12/h4-10,17H,3H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide?
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide has a molecular weight of 307.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide is sourced from PubChem (CID 94812620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).