3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide

C22H26N2O4S — CID 86960267

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2)C2CC2C)c1
InChIInChI=1S/C22H26N2O4S/c1-15-13-20(15)22(17-7-4-3-5-8-17)24-21(26)11-12-23-29(27,28)19-10-6-9-18(14-19)16(2)25/h3-10,14-15,20,22-23H,11-13H2,1-2H3,(H,24,26)
InChIKeyJCYIOTHTGNFITA-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.07
Rot. Bonds9

About 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide (PubChem CID 86960267) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
PubChem CID86960267
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2)C2CC2C)c1
InChIInChI=1S/C22H26N2O4S/c1-15-13-20(15)22(17-7-4-3-5-8-17)24-21(26)11-12-23-29(27,28)19-10-6-9-18(14-19)16(2)25/h3-10,14-15,20,22-23H,11-13H2,1-2H3,(H,24,26)
InChIKeyJCYIOTHTGNFITA-UHFFFAOYSA-N
XLogP3.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(5-methylhexan-2-yl)propanamide
CID 78768187
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-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46539927
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
CID 46414513
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide (CID 86960267) is 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2)C2CC2C)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The InChIKey is JCYIOTHTGNFITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-15-13-20(15)22(17-7-4-3-5-8-17)24-21(26)11-12-23-29(27,28)19-10-6-9-18(14-19)16(2)25/h3-10,14-15,20,22-23H,11-13H2,1-2H3,(H,24,26).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide has a molecular weight of 414.53 g/mol, XLogP of 3.07, 9 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-[(2-methylcyclopropyl)-phenylmethyl]propanamide is sourced from PubChem (CID 86960267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).