3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide

C18H21N3O4S — CID 52990856

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(C)c2ccncc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13(15-6-9-19-10-7-15)21-18(23)8-11-20-26(24,25)17-5-3-4-16(12-17)14(2)22/h3-7,9-10,12-13,20H,8,11H2,1-2H3,(H,21,23)
InChIKeyVHBDJRKSOIBQTH-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.83
Rot. Bonds8

About 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 52990856) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID52990856
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(C)c2ccncc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13(15-6-9-19-10-7-15)21-18(23)8-11-20-26(24,25)17-5-3-4-16(12-17)14(2)22/h3-7,9-10,12-13,20H,8,11H2,1-2H3,(H,21,23)
InChIKeyVHBDJRKSOIBQTH-UHFFFAOYSA-N
XLogP1.83
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
CID 134014613
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86960267
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide (CID 52990856) is 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(C)c2ccncc2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is VHBDJRKSOIBQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(15-6-9-19-10-7-15)21-18(23)8-11-20-26(24,25)17-5-3-4-16(12-17)14(2)22/h3-7,9-10,12-13,20H,8,11H2,1-2H3,(H,21,23).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 375.45 g/mol, XLogP of 1.83, 8 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-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 52990856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).