N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide

C26H26N4O4S — CID 41190663

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C26H26N4O4S/c31-26(20-9-6-10-21(18-20)35(32,33)30-13-15-34-16-14-30)29-24(17-19-7-2-1-3-8-19)25-27-22-11-4-5-12-23(22)28-25/h1-12,18,24H,13-17H2,(H,27,28)(H,29,31)/t24-/m1/s1
InChIKeyDJYAVSGXKCXFIK-XMMPIXPASA-N
MW490.59 g/mol
LogP3.30
Rot. Bonds7

About N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 41190663) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID41190663
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C26H26N4O4S/c31-26(20-9-6-10-21(18-20)35(32,33)30-13-15-34-16-14-30)29-24(17-19-7-2-1-3-8-19)25-27-22-11-4-5-12-23(22)28-25/h1-12,18,24H,13-17H2,(H,27,28)(H,29,31)/t24-/m1/s1
InChIKeyDJYAVSGXKCXFIK-XMMPIXPASA-N
XLogP3.30
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(methylsulfonylmethyl)benzamide
CID 46561468
3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzamide
CID 2515814
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-nitrobenzamide
CID 2109149
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4847129
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 60620449
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 55942718
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55882295

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 41190663) is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DJYAVSGXKCXFIK-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N4O4S/c31-26(20-9-6-10-21(18-20)35(32,33)30-13-15-34-16-14-30)29-24(17-19-7-2-1-3-8-19)25-27-22-11-4-5-12-23(22)28-25/h1-12,18,24H,13-17H2,(H,27,28)(H,29,31)/t24-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 490.59 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 41190663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).