N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide

C16H16ClN3OS2 — CID 41036841

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
SMILESC[C@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H16ClN3OS2/c1-10(16-19-12-4-2-3-5-13(12)20-16)18-15(21)9-22-8-11-6-7-14(17)23-11/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyIKWBDNBVHLHPRL-JTQLQIEISA-N
MW365.91 g/mol
LogP4.39
Rot. Bonds6

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide (PubChem CID 41036841) has the molecular formula C16H16ClN3OS2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
PubChem CID41036841
Molecular FormulaC16H16ClN3OS2
Molecular Weight365.91 g/mol
Exact Mass365.04
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
SMILESC[C@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H16ClN3OS2/c1-10(16-19-12-4-2-3-5-13(12)20-16)18-15(21)9-22-8-11-6-7-14(17)23-11/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyIKWBDNBVHLHPRL-JTQLQIEISA-N
XLogP4.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 60620348
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 41259236
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]propanoate
CID 47368145
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 18116511

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide (CID 41036841) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide is C[C@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The InChIKey is IKWBDNBVHLHPRL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16ClN3OS2/c1-10(16-19-12-4-2-3-5-13(12)20-16)18-15(21)9-22-8-11-6-7-14(17)23-11/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide has a molecular weight of 365.91 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 41036841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).