3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide

C20H23ClN4O5S — CID 166330937

IUPAC3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C20H23ClN4O5S/c1-24(20(27)14-2-7-18(17(21)12-14)31(22,28)29)13-19(26)23-15-3-5-16(6-4-15)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,26)(H2,22,28,29)
InChIKeyFNQWWDVHCYFZQF-UHFFFAOYSA-N
MW466.95 g/mol
LogP1.53
Rot. Bonds6

About 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide

3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide (PubChem CID 166330937) has the molecular formula C20H23ClN4O5S and a molecular weight of 466.95 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide
PubChem CID166330937
Molecular FormulaC20H23ClN4O5S
Molecular Weight466.95 g/mol
Exact Mass466.11
IUPAC Name3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C20H23ClN4O5S/c1-24(20(27)14-2-7-18(17(21)12-14)31(22,28)29)13-19(26)23-15-3-5-16(6-4-15)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,26)(H2,22,28,29)
InChIKeyFNQWWDVHCYFZQF-UHFFFAOYSA-N
XLogP1.53
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
6-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 17437337
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
4-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-sulfamoylbenzamide
CID 9493763
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55347891
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55463120
N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754799
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55328476

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide (CID 166330937) is 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide?
The InChIKey is FNQWWDVHCYFZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O5S/c1-24(20(27)14-2-7-18(17(21)12-14)31(22,28)29)13-19(26)23-15-3-5-16(6-4-15)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,26)(H2,22,28,29).
What are the key properties of 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide?
3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide has a molecular weight of 466.95 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 166330937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).