N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide

C23H26N4O5S — CID 55463120

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C23H26N4O5S/c1-3-11-24-33(30,31)21-6-4-5-18(16-21)23(29)26(2)17-22(28)25-19-7-9-20(10-8-19)27-12-14-32-15-13-27/h1,4-10,16,24H,11-15,17H2,2H3,(H,25,28)
InChIKeyRFHSOQJZCCRVLO-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.15
Rot. Bonds8

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55463120) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55463120
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C23H26N4O5S/c1-3-11-24-33(30,31)21-6-4-5-18(16-21)23(29)26(2)17-22(28)25-19-7-9-20(10-8-19)27-12-14-32-15-13-27/h1,4-10,16,24H,11-15,17H2,2H3,(H,25,28)
InChIKeyRFHSOQJZCCRVLO-UHFFFAOYSA-N
XLogP1.15
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(propanoylamino)benzamide
CID 55833793
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55347891
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide
CID 166330937
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
2-[[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354482
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24980864
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328411

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 55463120) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is RFHSOQJZCCRVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-3-11-24-33(30,31)21-6-4-5-18(16-21)23(29)26(2)17-22(28)25-19-7-9-20(10-8-19)27-12-14-32-15-13-27/h1,4-10,16,24H,11-15,17H2,2H3,(H,25,28).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55463120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).