5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide

C24H27ClN4O5S2 — CID 164980347

IUPAC5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(-c3csc(CC(=O)CNC(=O)c4cc(Cl)n(S(C)(=O)=O)c4)n3)c2)C[C@H](C)O1
InChIInChI=1S/C24H27ClN4O5S2/c1-15-11-28(12-16(2)34-15)19-6-4-5-17(7-19)21-14-35-23(27-21)9-20(30)10-26-24(31)18-8-22(25)29(13-18)36(3,32)33/h4-8,13-16H,9-12H2,1-3H3,(H,26,31)/t15-,16+
InChIKeyFJVMYKKVROJOIN-IYBDPMFKSA-N
MW551.09 g/mol
LogP3.23
Rot. Bonds8

About 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide

5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide (PubChem CID 164980347) has the molecular formula C24H27ClN4O5S2 and a molecular weight of 551.09 g/mol. Its IUPAC name is 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide
PubChem CID164980347
Molecular FormulaC24H27ClN4O5S2
Molecular Weight551.09 g/mol
Exact Mass550.11
IUPAC Name5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(-c3csc(CC(=O)CNC(=O)c4cc(Cl)n(S(C)(=O)=O)c4)n3)c2)C[C@H](C)O1
InChIInChI=1S/C24H27ClN4O5S2/c1-15-11-28(12-16(2)34-15)19-6-4-5-17(7-19)21-14-35-23(27-21)9-20(30)10-26-24(31)18-8-22(25)29(13-18)36(3,32)33/h4-8,13-16H,9-12H2,1-3H3,(H,26,31)/t15-,16+
InChIKeyFJVMYKKVROJOIN-IYBDPMFKSA-N
XLogP3.23
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.09
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide with MolForge

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Related Compounds

3-methylsulfonyl-N-[2-oxo-3-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 159737343
N-[2-[[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-5-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
CID 154666839
2-[methyl-[4-[3-[2-[3-[(5-methyl-1-methylsulfonylpyrrole-3-carbonyl)amino]-2-oxopropyl]-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetic acid
CID 165105991
3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide
CID 160842834
5-methyl-N-[3-[4-[3-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 164997291
2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
[2-[[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175186749
1-(cyclopropylidene-methyl-oxo-λ6-sulfanyl)-N-[2-oxo-3-[4-[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]propyl]pyrrole-3-carboxamide
CID 154668167
3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]benzamide
CID 142392077
[(3R,4R)-3-methyl-1-[3-[2-[[2-[(1-methylsulfonylpyrrole-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]phenyl]piperidin-4-yl] acetate
CID 155026555
N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 142392046
N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide
CID 159882181

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide (CID 164980347) is 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide is C[C@@H]1CN(c2cccc(-c3csc(CC(=O)CNC(=O)c4cc(Cl)n(S(C)(=O)=O)c4)n3)c2)C[C@H](C)O1.
What is the InChIKey of 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide?
The InChIKey is FJVMYKKVROJOIN-IYBDPMFKSA-N. The full InChI is InChI=1S/C24H27ClN4O5S2/c1-15-11-28(12-16(2)34-15)19-6-4-5-17(7-19)21-14-35-23(27-21)9-20(30)10-26-24(31)18-8-22(25)29(13-18)36(3,32)33/h4-8,13-16H,9-12H2,1-3H3,(H,26,31)/t15-,16+.
What are the key properties of 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide?
5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide has a molecular weight of 551.09 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 164980347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).