3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide

C16H27N3O4S — CID 120653177

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H27N3O4S/c1-4-17-13(3)12-18-16(20)10-11-19-24(21,22)15-8-6-14(7-9-15)23-5-2/h6-9,13,17,19H,4-5,10-12H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyYXLWFRHANTTZCZ-CYBMUJFWSA-N
MW357.48 g/mol
LogP0.87
Rot. Bonds11

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120653177) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120653177
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H27N3O4S/c1-4-17-13(3)12-18-16(20)10-11-19-24(21,22)15-8-6-14(7-9-15)23-5-2/h6-9,13,17,19H,4-5,10-12H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyYXLWFRHANTTZCZ-CYBMUJFWSA-N
XLogP0.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 120831447
2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid
CID 119188454
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55337277
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120653177) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is YXLWFRHANTTZCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-4-17-13(3)12-18-16(20)10-11-19-24(21,22)15-8-6-14(7-9-15)23-5-2/h6-9,13,17,19H,4-5,10-12H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 357.48 g/mol, XLogP of 0.87, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120653177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).