3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide

C25H28N2O4S2 — CID 95082138

IUPAC3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C25H28N2O4S2/c1-19(10-11-20-6-3-2-4-7-20)26-25(28)22-9-5-8-21(18-22)23-12-13-24(32-23)33(29,30)27-14-16-31-17-15-27/h2-9,12-13,18-19H,10-11,14-17H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyKWQWWAZAFIGQKY-LJQANCHMSA-N
MW484.64 g/mol
LogP4.19
Rot. Bonds8

About 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide

3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 95082138) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID95082138
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C25H28N2O4S2/c1-19(10-11-20-6-3-2-4-7-20)26-25(28)22-9-5-8-21(18-22)23-12-13-24(32-23)33(29,30)27-14-16-31-17-15-27/h2-9,12-13,18-19H,10-11,14-17H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyKWQWWAZAFIGQKY-LJQANCHMSA-N
XLogP4.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082134
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-(3-chloro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101559
N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101562
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082109
N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101574
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101533
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024

Frequently Asked Questions

What is the IUPAC name of 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 95082138) is 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide is C[C@H](CCc1ccccc1)NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1.
What is the InChIKey of 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is KWQWWAZAFIGQKY-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-19(10-11-20-6-3-2-4-7-20)26-25(28)22-9-5-8-21(18-22)23-12-13-24(32-23)33(29,30)27-14-16-31-17-15-27/h2-9,12-13,18-19H,10-11,14-17H2,1H3,(H,26,28)/t19-/m1/s1.
What are the key properties of 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide?
3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide has a molecular weight of 484.64 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 95082138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).