N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C19H21N3O5S — CID 2334392

IUPACN-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H21N3O5S/c1-13-2-7-16(28(25,26)22-8-10-27-11-9-22)12-17(13)19(24)21-15-5-3-14(4-6-15)18(20)23/h2-7,12H,8-11H2,1H3,(H2,20,23)(H,21,24)
InChIKeyVAAIWQYSVIUALB-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.37
Rot. Bonds5

About N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2334392) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2334392
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H21N3O5S/c1-13-2-7-16(28(25,26)22-8-10-27-11-9-22)12-17(13)19(24)21-15-5-3-14(4-6-15)18(20)23/h2-7,12H,8-11H2,1H3,(H2,20,23)(H,21,24)
InChIKeyVAAIWQYSVIUALB-UHFFFAOYSA-N
XLogP1.37
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
2,3-Dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 3587175
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 2334392) is N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VAAIWQYSVIUALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-13-2-7-16(28(25,26)22-8-10-27-11-9-22)12-17(13)19(24)21-15-5-3-14(4-6-15)18(20)23/h2-7,12H,8-11H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 403.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2334392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).