2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide

C25H31ClN4O6S — CID 10143974

IUPAC2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
SMILESCC1COCC(C)N1C(=O)[C@H](C)N1CC[C@@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C25H31ClN4O6S/c1-15-13-36-14-16(2)30(15)24(32)17(3)28-9-8-22(25(28)33)29(12-23(27)31)37(34,35)21-7-5-18-10-20(26)6-4-19(18)11-21/h4-7,10-11,15-17,22H,8-9,12-14H2,1-3H3,(H2,27,31)/t15?,16?,17-,22+/m0/s1
InChIKeyTXNLCFFNHVYJCC-ZFIVPINASA-N
MW551.07 g/mol
LogP1.59
Rot. Bonds7

About 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide

2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide (PubChem CID 10143974) has the molecular formula C25H31ClN4O6S and a molecular weight of 551.07 g/mol. Its IUPAC name is 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound Name2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
PubChem CID10143974
Molecular FormulaC25H31ClN4O6S
Molecular Weight551.07 g/mol
Exact Mass550.17
IUPAC Name2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
SMILESCC1COCC(C)N1C(=O)[C@H](C)N1CC[C@@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C25H31ClN4O6S/c1-15-13-36-14-16(2)30(15)24(32)17(3)28-9-8-22(25(28)33)29(12-23(27)31)37(34,35)21-7-5-18-10-20(26)6-4-19(18)11-21/h4-7,10-11,15-17,22H,8-9,12-14H2,1-3H3,(H2,27,31)/t15?,16?,17-,22+/m0/s1
InChIKeyTXNLCFFNHVYJCC-ZFIVPINASA-N
XLogP1.59
TPSA130.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.07
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide?
The IUPAC name of 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide (CID 10143974) is 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide is CC1COCC(C)N1C(=O)[C@H](C)N1CC[C@@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide?
The InChIKey is TXNLCFFNHVYJCC-ZFIVPINASA-N. The full InChI is InChI=1S/C25H31ClN4O6S/c1-15-13-36-14-16(2)30(15)24(32)17(3)28-9-8-22(25(28)33)29(12-23(27)31)37(34,35)21-7-5-18-10-20(26)6-4-19(18)11-21/h4-7,10-11,15-17,22H,8-9,12-14H2,1-3H3,(H2,27,31)/t15?,16?,17-,22+/m0/s1.
What are the key properties of 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide?
2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide has a molecular weight of 551.07 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(3,5-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 10143974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).