N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide

C23H29N3O5S — CID 46349179

IUPACN-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(CNC(=O)c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C23H29N3O5S/c1-18-2-4-19(5-3-18)17-24-23(27)20-6-7-21(25-8-12-30-13-9-25)22(16-20)32(28,29)26-10-14-31-15-11-26/h2-7,16H,8-15,17H2,1H3,(H,24,27)
InChIKeyVRQYFWJKTWZHEI-UHFFFAOYSA-N
MW459.57 g/mol
LogP1.78
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide

N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46349179) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46349179
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(CNC(=O)c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C23H29N3O5S/c1-18-2-4-19(5-3-18)17-24-23(27)20-6-7-21(25-8-12-30-13-9-25)22(16-20)32(28,29)26-10-14-31-15-11-26/h2-7,16H,8-15,17H2,1H3,(H,24,27)
InChIKeyVRQYFWJKTWZHEI-UHFFFAOYSA-N
XLogP1.78
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
CID 20965247
N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
CID 20965249
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349202
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30836100
4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 2664064
4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24646597
N-(2-cyclopentyl-2-methylpentan-3-yl)-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 143465360
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838866
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide (CID 46349179) is N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VRQYFWJKTWZHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-18-2-4-19(5-3-18)17-24-23(27)20-6-7-21(25-8-12-30-13-9-25)22(16-20)32(28,29)26-10-14-31-15-11-26/h2-7,16H,8-15,17H2,1H3,(H,24,27).
What are the key properties of N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide?
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 459.57 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46349179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).