3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide

C18H28N2O4S — CID 78768187

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(C)CCC(C)C)c1
InChIInChI=1S/C18H28N2O4S/c1-13(2)8-9-14(3)20-18(22)10-11-19-25(23,24)17-7-5-6-16(12-17)15(4)21/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,22)
InChIKeyJTOZJFNDISMEIK-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.50
Rot. Bonds10

About 3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide (PubChem CID 78768187) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
PubChem CID78768187
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(C)CCC(C)C)c1
InChIInChI=1S/C18H28N2O4S/c1-13(2)8-9-14(3)20-18(22)10-11-19-25(23,24)17-7-5-6-16(12-17)15(4)21/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,22)
InChIKeyJTOZJFNDISMEIK-UHFFFAOYSA-N
XLogP2.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
CID 134014613
3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86960267
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide
CID 36673402
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
CID 46414513
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-(5-methylhexan-2-yl)propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide (CID 78768187) is 3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(C)CCC(C)C)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide?
The InChIKey is JTOZJFNDISMEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-13(2)8-9-14(3)20-18(22)10-11-19-25(23,24)17-7-5-6-16(12-17)15(4)21/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,22).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.50, 10 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-(5-methylhexan-2-yl)propanamide is sourced from PubChem (CID 78768187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).