2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide

C32H30N4O4S — CID 18392423

IUPAC2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide
SMILESN#Cc1cccc(CN2CC[C@H](N(CC(=O)NCCc3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C32H30N4O4S/c33-21-25-9-6-10-26(19-25)22-35-18-16-30(32(35)38)36(23-31(37)34-17-15-24-7-2-1-3-8-24)41(39,40)29-14-13-27-11-4-5-12-28(27)20-29/h1-14,19-20,30H,15-18,22-23H2,(H,34,37)/t30-/m0/s1
InChIKeyQCQRYNWXEMAYQI-PMERELPUSA-N
MW566.68 g/mol
LogP3.86
Rot. Bonds10

About 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide

2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide (PubChem CID 18392423) has the molecular formula C32H30N4O4S and a molecular weight of 566.68 g/mol. Its IUPAC name is 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide
PubChem CID18392423
Molecular FormulaC32H30N4O4S
Molecular Weight566.68 g/mol
Exact Mass566.20
IUPAC Name2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide
SMILESN#Cc1cccc(CN2CC[C@H](N(CC(=O)NCCc3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C32H30N4O4S/c33-21-25-9-6-10-26(19-25)22-35-18-16-30(32(35)38)36(23-31(37)34-17-15-24-7-2-1-3-8-24)41(39,40)29-14-13-27-11-4-5-12-28(27)20-29/h1-14,19-20,30H,15-18,22-23H2,(H,34,37)/t30-/m0/s1
InChIKeyQCQRYNWXEMAYQI-PMERELPUSA-N
XLogP3.86
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.68
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(4-phenylphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 67365432
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(2-fluorophenyl)methyl]-7-methoxynaphthalene-2-sulfonamide
CID 139802151
2-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 67581126
N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 54070623
N-benzyl-2-[[(3S)-1-[(3-methanehydrazonoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]acetamide;2,2,2-trifluoroacetic acid
CID 67367278
2-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 67583023
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-7-hydroxynaphthalene-2-sulfonamide
CID 10645849
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenoxybenzenesulfonamide
CID 10789587
3-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 10721219
N-[[1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide
CID 178110608
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23743625
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(3-methylphenyl)benzenesulfonamide
CID 10837063

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide (CID 18392423) is 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide is N#Cc1cccc(CN2CC[C@H](N(CC(=O)NCCc3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)c1.
What is the InChIKey of 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is QCQRYNWXEMAYQI-PMERELPUSA-N. The full InChI is InChI=1S/C32H30N4O4S/c33-21-25-9-6-10-26(19-25)22-35-18-16-30(32(35)38)36(23-31(37)34-17-15-24-7-2-1-3-8-24)41(39,40)29-14-13-27-11-4-5-12-28(27)20-29/h1-14,19-20,30H,15-18,22-23H2,(H,34,37)/t30-/m0/s1.
What are the key properties of 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide?
2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 566.68 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 18392423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).