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

C17H26N4O5S — CID 119266422

IUPAC2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C17H26N4O5S/c18-11-17(22)20-16-10-14(27(23,24)21-5-8-25-9-6-21)3-4-15(16)19-12-13-2-1-7-26-13/h3-4,10,13,19H,1-2,5-9,11-12,18H2,(H,20,22)
InChIKeyJXYOJAQNAQIRET-UHFFFAOYSA-N
MW398.49 g/mol
LogP0.20
Rot. Bonds7

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

2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide (PubChem CID 119266422) has the molecular formula C17H26N4O5S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
PubChem CID119266422
Molecular FormulaC17H26N4O5S
Molecular Weight398.49 g/mol
Exact Mass398.16
IUPAC Name2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESNCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C17H26N4O5S/c18-11-17(22)20-16-10-14(27(23,24)21-5-8-25-9-6-21)3-4-15(16)19-12-13-2-1-7-26-13/h3-4,10,13,19H,1-2,5-9,11-12,18H2,(H,20,22)
InChIKeyJXYOJAQNAQIRET-UHFFFAOYSA-N
XLogP0.20
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 55761995
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
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
N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide
CID 41328158
2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 55574910
4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzenesulfonamide
CID 40927945
N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412
N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55437130
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide (CID 119266422) is 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide is NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1.
What is the InChIKey of 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide?
The InChIKey is JXYOJAQNAQIRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5S/c18-11-17(22)20-16-10-14(27(23,24)21-5-8-25-9-6-21)3-4-15(16)19-12-13-2-1-7-26-13/h3-4,10,13,19H,1-2,5-9,11-12,18H2,(H,20,22).
What are the key properties of 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide?
2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 119266422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).