(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide

C23H26ClN5O4S — CID 69360572

IUPAC(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)CCc1cnc[nH]1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H26ClN5O4S/c1-15(22(30)28(2)9-7-19-13-25-14-26-19)29-10-8-21(23(29)31)27-34(32,33)20-6-4-16-11-18(24)5-3-17(16)12-20/h3-6,11-15,21,27H,7-10H2,1-2H3,(H,25,26)/t15-,21-/m0/s1
InChIKeyRWTRIYUFJAHHJY-BTYIYWSLSA-N
MW504.01 g/mol
LogP2.19
Rot. Bonds8

About (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide

(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide (PubChem CID 69360572) has the molecular formula C23H26ClN5O4S and a molecular weight of 504.01 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide
PubChem CID69360572
Molecular FormulaC23H26ClN5O4S
Molecular Weight504.01 g/mol
Exact Mass503.14
IUPAC Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)CCc1cnc[nH]1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H26ClN5O4S/c1-15(22(30)28(2)9-7-19-13-25-14-26-19)29-10-8-21(23(29)31)27-34(32,33)20-6-4-16-11-18(24)5-3-17(16)12-20/h3-6,11-15,21,27H,7-10H2,1-2H3,(H,25,26)/t15-,21-/m0/s1
InChIKeyRWTRIYUFJAHHJY-BTYIYWSLSA-N
XLogP2.19
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide (CID 69360572) is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide is C[C@@H](C(=O)N(C)CCc1cnc[nH]1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide?
The InChIKey is RWTRIYUFJAHHJY-BTYIYWSLSA-N. The full InChI is InChI=1S/C23H26ClN5O4S/c1-15(22(30)28(2)9-7-19-13-25-14-26-19)29-10-8-21(23(29)31)27-34(32,33)20-6-4-16-11-18(24)5-3-17(16)12-20/h3-6,11-15,21,27H,7-10H2,1-2H3,(H,25,26)/t15-,21-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide?
(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide has a molecular weight of 504.01 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 69360572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).