2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide

C20H22ClN3O5S — CID 4856622

IUPAC2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22ClN3O5S/c21-18-4-2-1-3-17(18)20(26)22-10-9-19(25)23-15-5-7-16(8-6-15)30(27,28)24-11-13-29-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25)
InChIKeyNWUOCVOMZUOSJB-UHFFFAOYSA-N
MW451.93 g/mol
LogP2.12
Rot. Bonds7

About 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide

2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide (PubChem CID 4856622) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
PubChem CID4856622
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC Name2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22ClN3O5S/c21-18-4-2-1-3-17(18)20(26)22-10-9-19(25)23-15-5-7-16(8-6-15)30(27,28)24-11-13-29-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25)
InChIKeyNWUOCVOMZUOSJB-UHFFFAOYSA-N
XLogP2.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 24981162
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide (CID 4856622) is 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The InChIKey is NWUOCVOMZUOSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c21-18-4-2-1-3-17(18)20(26)22-10-9-19(25)23-15-5-7-16(8-6-15)30(27,28)24-11-13-29-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25).
What are the key properties of 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide has a molecular weight of 451.93 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 4856622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).