(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide

C26H29ClN4O4S — CID 10152710

IUPAC(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)N(Cc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C26H29ClN4O4S/c1-17(2)31(16-22-6-4-5-12-28-22)25(32)18(3)30-13-11-24(26(30)33)29-36(34,35)23-10-8-19-14-21(27)9-7-20(19)15-23/h4-10,12,14-15,17-18,24,29H,11,13,16H2,1-3H3/t18-,24-/m0/s1
InChIKeyQVQZHWGMGSPGNN-UUOWRZLLSA-N
MW529.06 g/mol
LogP3.59
Rot. Bonds8

About (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide

(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 10152710) has the molecular formula C26H29ClN4O4S and a molecular weight of 529.06 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID10152710
Molecular FormulaC26H29ClN4O4S
Molecular Weight529.06 g/mol
Exact Mass528.16
IUPAC Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)N(Cc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C26H29ClN4O4S/c1-17(2)31(16-22-6-4-5-12-28-22)25(32)18(3)30-13-11-24(26(30)33)29-36(34,35)23-10-8-19-14-21(27)9-7-20(19)15-23/h4-10,12,14-15,17-18,24,29H,11,13,16H2,1-3H3/t18-,24-/m0/s1
InChIKeyQVQZHWGMGSPGNN-UUOWRZLLSA-N
XLogP3.59
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.06
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide with MolForge

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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-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide (CID 10152710) is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide is CC(C)N(Cc1ccccn1)C(=O)[C@H](C)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-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is QVQZHWGMGSPGNN-UUOWRZLLSA-N. The full InChI is InChI=1S/C26H29ClN4O4S/c1-17(2)31(16-22-6-4-5-12-28-22)25(32)18(3)30-13-11-24(26(30)33)29-36(34,35)23-10-8-19-14-21(27)9-7-20(19)15-23/h4-10,12,14-15,17-18,24,29H,11,13,16H2,1-3H3/t18-,24-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 529.06 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 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-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 10152710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).