2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide

C18H21N3O4S — CID 100519885

IUPAC2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-26(23,24)20-17-5-3-2-4-16(17)18(22)19-14-6-8-15(9-7-14)21-10-12-25-13-11-21/h2-9,20H,10-13H2,1H3,(H,19,22)
InChIKeyVMEPLJPADUNIQE-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.15
Rot. Bonds5

About 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide

2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 100519885) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID100519885
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-26(23,24)20-17-5-3-2-4-16(17)18(22)19-14-6-8-15(9-7-14)21-10-12-25-13-11-21/h2-9,20H,10-13H2,1H3,(H,19,22)
InChIKeyVMEPLJPADUNIQE-UHFFFAOYSA-N
XLogP2.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522117
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide (CID 100519885) is 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide is CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is VMEPLJPADUNIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-26(23,24)20-17-5-3-2-4-16(17)18(22)19-14-6-8-15(9-7-14)21-10-12-25-13-11-21/h2-9,20H,10-13H2,1H3,(H,19,22).
What are the key properties of 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide?
2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 100519885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).