2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide

C25H25ClN4O5S — CID 4217336

IUPAC2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESO=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H25ClN4O5S/c26-21-11-10-19(16-23(21)36(33,34)30-12-14-35-15-13-30)28-24(31)17-27-22-9-5-4-8-20(22)25(32)29-18-6-2-1-3-7-18/h1-11,16,27H,12-15,17H2,(H,28,31)(H,29,32)
InChIKeyBOXNDIPUMOMCHI-UHFFFAOYSA-N
MW529.02 g/mol
LogP3.66
Rot. Bonds8

About 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide

2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 4217336) has the molecular formula C25H25ClN4O5S and a molecular weight of 529.02 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID4217336
Molecular FormulaC25H25ClN4O5S
Molecular Weight529.02 g/mol
Exact Mass528.12
IUPAC Name2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESO=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H25ClN4O5S/c26-21-11-10-19(16-23(21)36(33,34)30-12-14-35-15-13-30)28-24(31)17-27-22-9-5-4-8-20(22)25(32)29-18-6-2-1-3-7-18/h1-11,16,27H,12-15,17H2,(H,28,31)(H,29,32)
InChIKeyBOXNDIPUMOMCHI-UHFFFAOYSA-N
XLogP3.66
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.02
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
CID 4642440
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 16555054
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
CID 55375493
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide (CID 4217336) is 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide is O=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is BOXNDIPUMOMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O5S/c26-21-11-10-19(16-23(21)36(33,34)30-12-14-35-15-13-30)28-24(31)17-27-22-9-5-4-8-20(22)25(32)29-18-6-2-1-3-7-18/h1-11,16,27H,12-15,17H2,(H,28,31)(H,29,32).
What are the key properties of 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 529.02 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 4217336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).