N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide

C23H29N3O4S — CID 4881660

IUPACN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C23H29N3O4S/c27-23(11-8-19-6-2-1-3-7-19)24-21-18-20(9-10-22(21)25-12-4-5-13-25)31(28,29)26-14-16-30-17-15-26/h1-3,6-7,9-10,18H,4-5,8,11-17H2,(H,24,27)
InChIKeyLBSLSGDFASCMJU-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.88
Rot. Bonds7

About N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide

N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide (PubChem CID 4881660) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide
PubChem CID4881660
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C23H29N3O4S/c27-23(11-8-19-6-2-1-3-7-19)24-21-18-20(9-10-22(21)25-12-4-5-13-25)31(28,29)26-14-16-30-17-15-26/h1-3,6-7,9-10,18H,4-5,8,11-17H2,(H,24,27)
InChIKeyLBSLSGDFASCMJU-UHFFFAOYSA-N
XLogP2.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2123914
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 3898052
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 4173596
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-({[4-(4-morpholinylsulfonyl)phenyl]amino}carbonothioyl)-3-phenylpropanamide
CID 1014410
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-one
CID 2327938
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 16282216

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide (CID 4881660) is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide?
The InChIKey is LBSLSGDFASCMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-23(11-8-19-6-2-1-3-7-19)24-21-18-20(9-10-22(21)25-12-4-5-13-25)31(28,29)26-14-16-30-17-15-26/h1-3,6-7,9-10,18H,4-5,8,11-17H2,(H,24,27).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide?
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide has a molecular weight of 443.57 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 4881660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).