2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide

C26H28Cl2N4O7S2 — CID 66911214

IUPAC2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide
SMILESCOC1CCN(C(=O)[C@H](Cc2cc(-c3ccc(Cl)s3)on2)NS(=O)(=O)c2cccc(N3CCOCC3=O)c2Cl)CC1
InChIInChI=1S/C26H28Cl2N4O7S2/c1-37-17-7-9-31(10-8-17)26(34)18(13-16-14-20(39-29-16)21-5-6-23(27)40-21)30-41(35,36)22-4-2-3-19(25(22)28)32-11-12-38-15-24(32)33/h2-6,14,17-18,30H,7-13,15H2,1H3/t18-/m0/s1
InChIKeyNHZZEFZMCCKJKH-SFHVURJKSA-N
MW643.57 g/mol
LogP3.60
Rot. Bonds9

About 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide

2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide (PubChem CID 66911214) has the molecular formula C26H28Cl2N4O7S2 and a molecular weight of 643.57 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide
PubChem CID66911214
Molecular FormulaC26H28Cl2N4O7S2
Molecular Weight643.57 g/mol
Exact Mass642.08
IUPAC Name2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide
SMILESCOC1CCN(C(=O)[C@H](Cc2cc(-c3ccc(Cl)s3)on2)NS(=O)(=O)c2cccc(N3CCOCC3=O)c2Cl)CC1
InChIInChI=1S/C26H28Cl2N4O7S2/c1-37-17-7-9-31(10-8-17)26(34)18(13-16-14-20(39-29-16)21-5-6-23(27)40-21)30-41(35,36)22-4-2-3-19(25(22)28)32-11-12-38-15-24(32)33/h2-6,14,17-18,30H,7-13,15H2,1H3/t18-/m0/s1
InChIKeyNHZZEFZMCCKJKH-SFHVURJKSA-N
XLogP3.60
TPSA131.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-(azepan-1-yl)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-oxopropan-2-yl]-2-ethyl-3-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 66911144
N-[(2S)-3-amino-1-(4-cyclopropylpiperazin-1-yl)-1-oxopropan-2-yl]-2-chloro-3-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 70662529
N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-oxo-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-5-fluoro-2-methoxy-3-(2-oxopiperidin-1-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 66911187
methyl (2S)-3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[2-ethyl-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]propanoate
CID 67155528
N-[(2S)-3-amino-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-chloro-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 68629670
(2S)-2-[[2-chloro-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(5-chlorothiophene-2-carbonyl)amino]propanoic acid
CID 67155325
5-chloro-N-[2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 77233478
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 69452855
(2S)-2-[[2-ethyl-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-[(3R)-3-fluoropyrrolidin-1-yl]-3-oxopropanamide
CID 70662279
(2S)-2-[[2-chloro-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 68628580
(2S)-2-[[2-ethyl-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-3-oxopropanamide
CID 70662304
[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide (CID 66911214) is 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide is COC1CCN(C(=O)[C@H](Cc2cc(-c3ccc(Cl)s3)on2)NS(=O)(=O)c2cccc(N3CCOCC3=O)c2Cl)CC1.
What is the InChIKey of 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide?
The InChIKey is NHZZEFZMCCKJKH-SFHVURJKSA-N. The full InChI is InChI=1S/C26H28Cl2N4O7S2/c1-37-17-7-9-31(10-8-17)26(34)18(13-16-14-20(39-29-16)21-5-6-23(27)40-21)30-41(35,36)22-4-2-3-19(25(22)28)32-11-12-38-15-24(32)33/h2-6,14,17-18,30H,7-13,15H2,1H3/t18-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide?
2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide has a molecular weight of 643.57 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-3-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-3-(3-oxomorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 66911214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).