N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C21H24N4O4S2 — CID 41184329

IUPACN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H24N4O4S2/c1-16(17-2-4-18(5-3-17)24-9-8-22-15-24)23-20(26)14-19-6-7-21(30-19)31(27,28)25-10-12-29-13-11-25/h2-9,15-16H,10-14H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyZHMTXDBFULPIQZ-INIZCTEOSA-N
MW460.58 g/mol
LogP2.37
Rot. Bonds7

About N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 41184329) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID41184329
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H24N4O4S2/c1-16(17-2-4-18(5-3-17)24-9-8-22-15-24)23-20(26)14-19-6-7-21(30-19)31(27,28)25-10-12-29-13-11-25/h2-9,15-16H,10-14H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyZHMTXDBFULPIQZ-INIZCTEOSA-N
XLogP2.37
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 27812555
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 42887582
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 25350523
N-[1-(4-chlorophenyl)ethyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55336038
N-[1-(3,4-dichlorophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55335869
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4845845
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 92509475
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
3-(4-morpholin-4-ylsulfonylphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 45352266
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 41184329) is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is ZHMTXDBFULPIQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-16(17-2-4-18(5-3-17)24-9-8-22-15-24)23-20(26)14-19-6-7-21(30-19)31(27,28)25-10-12-29-13-11-25/h2-9,15-16H,10-14H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 460.58 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 41184329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).