N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide

C23H29N3O4S — CID 50946109

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H29N3O4S/c27-23(24-18-19-7-9-21(10-8-19)25-13-15-30-16-14-25)20-5-4-6-22(17-20)31(28,29)26-11-2-1-3-12-26/h4-10,17H,1-3,11-16,18H2,(H,24,27)
InChIKeyHTDACCUMAWIGEG-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.63
Rot. Bonds6

About N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide

N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 50946109) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID50946109
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H29N3O4S/c27-23(24-18-19-7-9-21(10-8-19)25-13-15-30-16-14-25)20-5-4-6-22(17-20)31(28,29)26-11-2-1-3-12-26/h4-10,17H,1-3,11-16,18H2,(H,24,27)
InChIKeyHTDACCUMAWIGEG-UHFFFAOYSA-N
XLogP2.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 50946670
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
3-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052335
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide (CID 50946109) is N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HTDACCUMAWIGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-23(24-18-19-7-9-21(10-8-19)25-13-15-30-16-14-25)20-5-4-6-22(17-20)31(28,29)26-11-2-1-3-12-26/h4-10,17H,1-3,11-16,18H2,(H,24,27).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 50946109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).