N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide

C18H18ClN3OS — CID 141175815

IUPACN-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@@H](Cc1ccccc1)c1ncc(Cl)[nH]1
InChIInChI=1S/C18H18ClN3OS/c19-16-11-20-18(22-16)15(10-13-4-2-1-3-5-13)21-17(23)7-6-14-8-9-24-12-14/h1-5,8-9,11-12,15H,6-7,10H2,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyPLJMITFJCJJZIR-HNNXBMFYSA-N
MW359.88 g/mol
LogP4.16
Rot. Bonds7

About N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide

N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide (PubChem CID 141175815) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide
PubChem CID141175815
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC NameN-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@@H](Cc1ccccc1)c1ncc(Cl)[nH]1
InChIInChI=1S/C18H18ClN3OS/c19-16-11-20-18(22-16)15(10-13-4-2-1-3-5-13)21-17(23)7-6-14-8-9-24-12-14/h1-5,8-9,11-12,15H,6-7,10H2,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyPLJMITFJCJJZIR-HNNXBMFYSA-N
XLogP4.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide
CID 110004275
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 55934358
[(1S)-1-(5-bromo-1H-imidazol-2-yl)-2-phenylethyl]carbamic acid
CID 142696255
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 9116698
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide (CID 141175815) is N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)N[C@@H](Cc1ccccc1)c1ncc(Cl)[nH]1.
What is the InChIKey of N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is PLJMITFJCJJZIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c19-16-11-20-18(22-16)15(10-13-4-2-1-3-5-13)21-17(23)7-6-14-8-9-24-12-14/h1-5,8-9,11-12,15H,6-7,10H2,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide?
N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 359.88 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chloro-1H-imidazol-2-yl)-2-phenylethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 141175815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).