N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide

C23H32N4O6S — CID 55437130

IUPACN-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
SMILESCC(NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)c1ccco1
InChIInChI=1S/C23H32N4O6S/c1-17(22-5-3-11-33-22)26-23(28)16-25-21-14-19(34(29,30)27-8-12-31-13-9-27)6-7-20(21)24-15-18-4-2-10-32-18/h3,5-7,11,14,17-18,24-25H,2,4,8-10,12-13,15-16H2,1H3,(H,26,28)
InChIKeyVIIGLIAFBCQJQF-UHFFFAOYSA-N
MW492.60 g/mol
LogP2.18
Rot. Bonds10

About N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide

N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide (PubChem CID 55437130) has the molecular formula C23H32N4O6S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
PubChem CID55437130
Molecular FormulaC23H32N4O6S
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
SMILESCC(NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)c1ccco1
InChIInChI=1S/C23H32N4O6S/c1-17(22-5-3-11-33-22)26-23(28)16-25-21-14-19(34(29,30)27-8-12-31-13-9-27)6-7-20(21)24-15-18-4-2-10-32-18/h3,5-7,11,14,17-18,24-25H,2,4,8-10,12-13,15-16H2,1H3,(H,26,28)
InChIKeyVIIGLIAFBCQJQF-UHFFFAOYSA-N
XLogP2.18
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
CID 51933841
2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide
CID 55365420
2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896
N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide
CID 41328158
1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
CID 25415439
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
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-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
CID 25347481
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide (CID 55437130) is N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide is CC(NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide?
The InChIKey is VIIGLIAFBCQJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6S/c1-17(22-5-3-11-33-22)26-23(28)16-25-21-14-19(34(29,30)27-8-12-31-13-9-27)6-7-20(21)24-15-18-4-2-10-32-18/h3,5-7,11,14,17-18,24-25H,2,4,8-10,12-13,15-16H2,1H3,(H,26,28).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide?
N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide has a molecular weight of 492.60 g/mol, XLogP of 2.18, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide is sourced from PubChem (CID 55437130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).