3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide

C19H18N2O4S — CID 36673402

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide
SMILESC#Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H18N2O4S/c1-3-15-6-4-8-17(12-15)21-19(23)10-11-20-26(24,25)18-9-5-7-16(13-18)14(2)22/h1,4-9,12-13,20H,10-11H2,2H3,(H,21,23)
InChIKeyAYQIRLWIPOREGH-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.18
Rot. Bonds7

About 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide (PubChem CID 36673402) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide
PubChem CID36673402
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide
SMILESC#Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H18N2O4S/c1-3-15-6-4-8-17(12-15)21-19(23)10-11-20-26(24,25)18-9-5-7-16(13-18)14(2)22/h1,4-9,12-13,20H,10-11H2,2H3,(H,21,23)
InChIKeyAYQIRLWIPOREGH-UHFFFAOYSA-N
XLogP2.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethynylphenyl)-3-(methanesulfonamido)propanamide
CID 47028332
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
methyl 4-[3-[(3-acetylphenyl)sulfonylamino]propanoylamino]-2-hydroxybenzoate
CID 166332920
3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 112790595
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
N-(3-ethynylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852147
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55958187
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55960611
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
CID 71944756
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide (CID 36673402) is 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide is C#Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide?
The InChIKey is AYQIRLWIPOREGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-15-6-4-8-17(12-15)21-19(23)10-11-20-26(24,25)18-9-5-7-16(13-18)14(2)22/h1,4-9,12-13,20H,10-11H2,2H3,(H,21,23).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide has a molecular weight of 370.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide is sourced from PubChem (CID 36673402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).