N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide

C16H17N3OS — CID 7025686

IUPACN-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCCn1c([C@H](C)NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C16H17N3OS/c1-3-19-13-8-5-4-7-12(13)18-15(19)11(2)17-16(20)14-9-6-10-21-14/h4-11H,3H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyCEEUUEFVRHLYGP-NSHDSACASA-N
MW299.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide

N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 7025686) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID7025686
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCCn1c([C@H](C)NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C16H17N3OS/c1-3-19-13-8-5-4-7-12(13)18-15(19)11(2)17-16(20)14-9-6-10-21-14/h4-11H,3H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyCEEUUEFVRHLYGP-NSHDSACASA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 3243597
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973627
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973675
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95234003
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7025718
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973684
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (CID 7025686) is N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is CCn1c([C@H](C)NC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CEEUUEFVRHLYGP-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-19-13-8-5-4-7-12(13)18-15(19)11(2)17-16(20)14-9-6-10-21-14/h4-11H,3H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7025686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).