3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C23H30N4O5S — CID 55989215

IUPAC3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H30N4O5S/c1-16(2)25-23(29)18-4-9-21(17(3)14-18)24-15-22(28)26-19-5-7-20(8-6-19)33(30,31)27-10-12-32-13-11-27/h4-9,14,16,24H,10-13,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyHVBJJGNXCVWOJW-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.20
Rot. Bonds8

About 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide

3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 55989215) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID55989215
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H30N4O5S/c1-16(2)25-23(29)18-4-9-21(17(3)14-18)24-15-22(28)26-19-5-7-20(8-6-19)33(30,31)27-10-12-32-13-11-27/h4-9,14,16,24H,10-13,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyHVBJJGNXCVWOJW-UHFFFAOYSA-N
XLogP2.20
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 30766141
N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 2361311
2-(2-methyl-4-nitroanilino)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824277
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 55989215) is 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is Cc1cc(C(=O)NC(C)C)ccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is HVBJJGNXCVWOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-16(2)25-23(29)18-4-9-21(17(3)14-18)24-15-22(28)26-19-5-7-20(8-6-19)33(30,31)27-10-12-32-13-11-27/h4-9,14,16,24H,10-13,15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 474.58 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55989215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).