2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide

C26H26FN3O4S — CID 46580892

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C26H26FN3O4S/c27-22-9-4-5-10-24(22)35(33,34)29-23(17-19-7-2-1-3-8-19)26(32)28-18-20-12-14-21(15-13-20)30-16-6-11-25(30)31/h1-5,7-10,12-15,23,29H,6,11,16-18H2,(H,28,32)
InChIKeySUPVNQLTGQRKDA-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.16
Rot. Bonds9

About 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide

2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide (PubChem CID 46580892) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
PubChem CID46580892
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C26H26FN3O4S/c27-22-9-4-5-10-24(22)35(33,34)29-23(17-19-7-2-1-3-8-19)26(32)28-18-20-12-14-21(15-13-20)30-16-6-11-25(30)31/h1-5,7-10,12-15,23,29H,6,11,16-18H2,(H,28,32)
InChIKeySUPVNQLTGQRKDA-UHFFFAOYSA-N
XLogP3.16
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55963369
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 50974021
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 119694486
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide
CID 24643173
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpropanamide
CID 55940699
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide (CID 46580892) is 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide is O=C(NCc1ccc(N2CCCC2=O)cc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is SUPVNQLTGQRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c27-22-9-4-5-10-24(22)35(33,34)29-23(17-19-7-2-1-3-8-19)26(32)28-18-20-12-14-21(15-13-20)30-16-6-11-25(30)31/h1-5,7-10,12-15,23,29H,6,11,16-18H2,(H,28,32).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 495.58 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 46580892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).