5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

C23H26Cl2N4O7S2 — CID 72792745

IUPAC5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](NS(=O)(=O)c1cccc(N2CCOCC2=O)c1Cl)C(=O)N1CCC(O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C23H26Cl2N4O7S2/c24-19-5-4-17(37-19)22(32)26-12-15(23(33)28-8-6-14(30)7-9-28)27-38(34,35)18-3-1-2-16(21(18)25)29-10-11-36-13-20(29)31/h1-5,14-15,27,30H,6-13H2,(H,26,32)/t15-/m0/s1
InChIKeyFGYIMJYGPJYJGY-HNNXBMFYSA-N
MW605.52 g/mol
LogP1.48
Rot. Bonds8

About 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 72792745) has the molecular formula C23H26Cl2N4O7S2 and a molecular weight of 605.52 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID72792745
Molecular FormulaC23H26Cl2N4O7S2
Molecular Weight605.52 g/mol
Exact Mass604.06
IUPAC Name5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](NS(=O)(=O)c1cccc(N2CCOCC2=O)c1Cl)C(=O)N1CCC(O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C23H26Cl2N4O7S2/c24-19-5-4-17(37-19)22(32)26-12-15(23(33)28-8-6-14(30)7-9-28)27-38(34,35)18-3-1-2-16(21(18)25)29-10-11-36-13-20(29)31/h1-5,14-15,27,30H,6-13H2,(H,26,32)/t15-/m0/s1
InChIKeyFGYIMJYGPJYJGY-HNNXBMFYSA-N
XLogP1.48
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.52
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide (CID 72792745) is 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide is O=C(NC[C@H](NS(=O)(=O)c1cccc(N2CCOCC2=O)c1Cl)C(=O)N1CCC(O)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is FGYIMJYGPJYJGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O7S2/c24-19-5-4-17(37-19)22(32)26-12-15(23(33)28-8-6-14(30)7-9-28)27-38(34,35)18-3-1-2-16(21(18)25)29-10-11-36-13-20(29)31/h1-5,14-15,27,30H,6-13H2,(H,26,32)/t15-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 605.52 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 72792745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).