3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

C22H27N3O4S — CID 50944620

IUPAC3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O4S/c26-22(23-17-18-6-8-20(9-7-18)24-10-1-2-11-24)19-4-3-5-21(16-19)30(27,28)25-12-14-29-15-13-25/h3-9,16H,1-2,10-15,17H2,(H,23,26)
InChIKeyCADPTZNFURVIAH-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.24
Rot. Bonds6

About 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 50944620) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID50944620
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O4S/c26-22(23-17-18-6-8-20(9-7-18)24-10-1-2-11-24)19-4-3-5-21(16-19)30(27,28)25-12-14-29-15-13-25/h3-9,16H,1-2,10-15,17H2,(H,23,26)
InChIKeyCADPTZNFURVIAH-UHFFFAOYSA-N
XLogP2.24
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.24
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
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 50946670
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052335
N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 32775606
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 50944620) is 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is CADPTZNFURVIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c26-22(23-17-18-6-8-20(9-7-18)24-10-1-2-11-24)19-4-3-5-21(16-19)30(27,28)25-12-14-29-15-13-25/h3-9,16H,1-2,10-15,17H2,(H,23,26).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 50944620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).