N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide

C22H29N3O4S — CID 2207528

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-3-25(4-2)30(27,28)21-11-9-20(10-12-21)23-22(26)19-7-5-18(6-8-19)17-24-13-15-29-16-14-24/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)
InChIKeySSXHSBALTRXSJL-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.80
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide

N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 2207528) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID2207528
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-3-25(4-2)30(27,28)21-11-9-20(10-12-21)23-22(26)19-7-5-18(6-8-19)17-24-13-15-29-16-14-24/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)
InChIKeySSXHSBALTRXSJL-UHFFFAOYSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SC-74020
CID 5288596
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 2279440
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide (CID 2207528) is N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is SSXHSBALTRXSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-25(4-2)30(27,28)21-11-9-20(10-12-21)23-22(26)19-7-5-18(6-8-19)17-24-13-15-29-16-14-24/h5-12H,3-4,13-17H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 2207528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).