N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide

C21H27N3O4S — CID 2665791

IUPACN-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H27N3O4S/c1-3-23(4-2)19-10-8-18(9-11-19)22-21(25)17-6-5-7-20(16-17)29(26,27)24-12-14-28-15-13-24/h5-11,16H,3-4,12-15H2,1-2H3,(H,22,25)
InChIKeyQHHSBDLCQRLDTC-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.81
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide

N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2665791) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2665791
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H27N3O4S/c1-3-23(4-2)19-10-8-18(9-11-19)22-21(25)17-6-5-7-20(16-17)29(26,27)24-12-14-28-15-13-24/h5-11,16H,3-4,12-15H2,1-2H3,(H,22,25)
InChIKeyQHHSBDLCQRLDTC-UHFFFAOYSA-N
XLogP2.81
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135460515
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2331780
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-[4-(2-cyanopropan-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30857520
5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-2-[2-[4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-2-sulfophenyl]ethyl]benzenesulfonic acid
CID 22629046
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 2665791) is N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide is CCN(CC)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QHHSBDLCQRLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-3-23(4-2)19-10-8-18(9-11-19)22-21(25)17-6-5-7-20(16-17)29(26,27)24-12-14-28-15-13-24/h5-11,16H,3-4,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2665791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).