N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide

C22H35N5O6S — CID 55365412

IUPACN-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
SMILESCC(C)CNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C22H35N5O6S/c1-16(2)13-25-22(29)26-21(28)15-24-20-12-18(34(30,31)27-7-10-32-11-8-27)5-6-19(20)23-14-17-4-3-9-33-17/h5-6,12,16-17,23-24H,3-4,7-11,13-15H2,1-2H3,(H2,25,26,28,29)
InChIKeyUIYJUBBTUHWWOY-UHFFFAOYSA-N
MW497.62 g/mol
LogP1.19
Rot. Bonds10

About N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide

N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide (PubChem CID 55365412) has the molecular formula C22H35N5O6S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
PubChem CID55365412
Molecular FormulaC22H35N5O6S
Molecular Weight497.62 g/mol
Exact Mass497.23
IUPAC NameN-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
SMILESCC(C)CNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1
InChIInChI=1S/C22H35N5O6S/c1-16(2)13-25-22(29)26-21(28)15-24-20-12-18(34(30,31)27-7-10-32-11-8-27)5-6-19(20)23-14-17-4-3-9-33-17/h5-6,12,16-17,23-24H,3-4,7-11,13-15H2,1-2H3,(H2,25,26,28,29)
InChIKeyUIYJUBBTUHWWOY-UHFFFAOYSA-N
XLogP1.19
TPSA138.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide
CID 55365420
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
2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
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
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629
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-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide (CID 55365412) is N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide is CC(C)CNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide?
The InChIKey is UIYJUBBTUHWWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O6S/c1-16(2)13-25-22(29)26-21(28)15-24-20-12-18(34(30,31)27-7-10-32-11-8-27)5-6-19(20)23-14-17-4-3-9-33-17/h5-6,12,16-17,23-24H,3-4,7-11,13-15H2,1-2H3,(H2,25,26,28,29).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide?
N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide has a molecular weight of 497.62 g/mol, XLogP of 1.19, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide is sourced from PubChem (CID 55365412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).