N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide

C22H33N3O5S — CID 42948457

IUPACN-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C22H33N3O5S/c26-22(17-5-2-1-3-6-17)24-21-15-19(31(27,28)25-10-13-29-14-11-25)8-9-20(21)23-16-18-7-4-12-30-18/h8-9,15,17-18,23H,1-7,10-14,16H2,(H,24,26)
InChIKeyWWFHWLWGLPRALX-UHFFFAOYSA-N
MW451.59 g/mol
LogP2.82
Rot. Bonds7

About N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide

N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide (PubChem CID 42948457) has the molecular formula C22H33N3O5S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
PubChem CID42948457
Molecular FormulaC22H33N3O5S
Molecular Weight451.59 g/mol
Exact Mass451.21
IUPAC NameN-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C22H33N3O5S/c26-22(17-5-2-1-3-6-17)24-21-15-19(31(27,28)25-10-13-29-14-11-25)8-9-20(21)23-16-18-7-4-12-30-18/h8-9,15,17-18,23H,1-7,10-14,16H2,(H,24,26)
InChIKeyWWFHWLWGLPRALX-UHFFFAOYSA-N
XLogP2.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845
1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
CID 51933841
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 55574910
4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 55761995
4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzenesulfonamide
CID 40927945
4-morpholin-4-ylsulfonyl-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 9187073
4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
CID 25347481
1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
CID 25415439
N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412

Frequently Asked Questions

What is the IUPAC name of N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide (CID 42948457) is N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)C1CCCCC1.
What is the InChIKey of N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is WWFHWLWGLPRALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5S/c26-22(17-5-2-1-3-6-17)24-21-15-19(31(27,28)25-10-13-29-14-11-25)8-9-20(21)23-16-18-7-4-12-30-18/h8-9,15,17-18,23H,1-7,10-14,16H2,(H,24,26).
What are the key properties of N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide?
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 451.59 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 42948457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).