4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

C31H29N3O5S — CID 126259639

IUPAC4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C31H29N3O5S/c35-30(32-29-14-8-7-13-28(29)31(36)33-19-21-39-22-20-33)25-17-15-24(16-18-25)23-34(26-9-3-1-4-10-26)40(37,38)27-11-5-2-6-12-27/h1-18H,19-23H2,(H,32,35)
InChIKeyGHTTWDGFOXMIBF-UHFFFAOYSA-N
MW555.66 g/mol
LogP4.81
Rot. Bonds8

About 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 126259639) has the molecular formula C31H29N3O5S and a molecular weight of 555.66 g/mol. Its IUPAC name is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID126259639
Molecular FormulaC31H29N3O5S
Molecular Weight555.66 g/mol
Exact Mass555.18
IUPAC Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C31H29N3O5S/c35-30(32-29-14-8-7-13-28(29)31(36)33-19-21-39-22-20-33)25-17-15-24(16-18-25)23-34(26-9-3-1-4-10-26)40(37,38)27-11-5-2-6-12-27/h1-18H,19-23H2,(H,32,35)
InChIKeyGHTTWDGFOXMIBF-UHFFFAOYSA-N
XLogP4.81
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.66
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide
CID 126271468
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126322952
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17201133
N-[2-(azepane-1-carbonyl)phenyl]-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 43882838
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 6461370
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
CID 1297380

Frequently Asked Questions

What is the IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (CID 126259639) is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is GHTTWDGFOXMIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O5S/c35-30(32-29-14-8-7-13-28(29)31(36)33-19-21-39-22-20-33)25-17-15-24(16-18-25)23-34(26-9-3-1-4-10-26)40(37,38)27-11-5-2-6-12-27/h1-18H,19-23H2,(H,32,35).
What are the key properties of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 555.66 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 126259639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).