3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide

C17H27N3O4S — CID 71944756

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C17H27N3O4S/c1-4-20(5-2)12-11-18-17(22)9-10-19-25(23,24)16-8-6-7-15(13-16)14(3)21/h6-8,13,19H,4-5,9-12H2,1-3H3,(H,18,22)
InChIKeyMABMAZHFKUXMID-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.02
Rot. Bonds11

About 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 71944756) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
PubChem CID71944756
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C17H27N3O4S/c1-4-20(5-2)12-11-18-17(22)9-10-19-25(23,24)16-8-6-7-15(13-16)14(3)21/h6-8,13,19H,4-5,9-12H2,1-3H3,(H,18,22)
InChIKeyMABMAZHFKUXMID-UHFFFAOYSA-N
XLogP1.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
CID 46414513
3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
CID 30947686
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide
CID 36673402
3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 52990856
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575
3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 46467072

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide (CID 71944756) is 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is MABMAZHFKUXMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-20(5-2)12-11-18-17(22)9-10-19-25(23,24)16-8-6-7-15(13-16)14(3)21/h6-8,13,19H,4-5,9-12H2,1-3H3,(H,18,22).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 1.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 71944756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).