N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide

C20H25N3O6S — CID 51933841

IUPACN-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccco1
InChIInChI=1S/C20H25N3O6S/c24-20(19-4-2-10-29-19)22-18-13-16(30(25,26)23-7-11-27-12-8-23)5-6-17(18)21-14-15-3-1-9-28-15/h2,4-6,10,13,15,21H,1,3,7-9,11-12,14H2,(H,22,24)/t15-/m1/s1
InChIKeyVAQDUBSKXLYBLD-OAHLLOKOSA-N
MW435.50 g/mol
LogP2.14
Rot. Bonds7

About N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide

N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide (PubChem CID 51933841) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
PubChem CID51933841
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccco1
InChIInChI=1S/C20H25N3O6S/c24-20(19-4-2-10-29-19)22-18-13-16(30(25,26)23-7-11-27-12-8-23)5-6-17(18)21-14-15-3-1-9-28-15/h2,4-6,10,13,15,21H,1,3,7-9,11-12,14H2,(H,22,24)/t15-/m1/s1
InChIKeyVAQDUBSKXLYBLD-OAHLLOKOSA-N
XLogP2.14
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845
2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55437130
2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 55574910
1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
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
N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide
CID 41328158
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

Frequently Asked Questions

What is the IUPAC name of N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide (CID 51933841) is N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccco1.
What is the InChIKey of N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide?
The InChIKey is VAQDUBSKXLYBLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O6S/c24-20(19-4-2-10-29-19)22-18-13-16(30(25,26)23-7-11-27-12-8-23)5-6-17(18)21-14-15-3-1-9-28-15/h2,4-6,10,13,15,21H,1,3,7-9,11-12,14H2,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide?
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 51933841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).