3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide

C21H25FN2O5S — CID 97255673

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide
SMILESCO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H25FN2O5S/c1-14(21(29-3)17-4-8-18(22)9-5-17)24-20(26)12-13-23-30(27,28)19-10-6-16(7-11-19)15(2)25/h4-11,14,21,23H,12-13H2,1-3H3,(H,24,26)/t14-,21-/m1/s1
InChIKeyHPAGTDHZHSJOPE-SPLOXXLWSA-N
MW436.51 g/mol
LogP2.59
Rot. Bonds10

About 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide (PubChem CID 97255673) has the molecular formula C21H25FN2O5S and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide
PubChem CID97255673
Molecular FormulaC21H25FN2O5S
Molecular Weight436.51 g/mol
Exact Mass436.15
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide
SMILESCO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H25FN2O5S/c1-14(21(29-3)17-4-8-18(22)9-5-17)24-20(26)12-13-23-30(27,28)19-10-6-16(7-11-19)15(2)25/h4-11,14,21,23H,12-13H2,1-3H3,(H,24,26)/t14-,21-/m1/s1
InChIKeyHPAGTDHZHSJOPE-SPLOXXLWSA-N
XLogP2.59
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
CID 119368464
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
methyl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 55439601
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 25403468
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 41259437
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate
CID 46657276
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 26544292
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide (CID 97255673) is 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide is CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide?
The InChIKey is HPAGTDHZHSJOPE-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H25FN2O5S/c1-14(21(29-3)17-4-8-18(22)9-5-17)24-20(26)12-13-23-30(27,28)19-10-6-16(7-11-19)15(2)25/h4-11,14,21,23H,12-13H2,1-3H3,(H,24,26)/t14-,21-/m1/s1.
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide has a molecular weight of 436.51 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 97255673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).