N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

C20H26N4O2S — CID 18161890

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NCC(c2cccs2)N(C)C)c2ccccc21
InChIInChI=1S/C20H26N4O2S/c1-4-23-15-8-5-6-9-16(15)24(20(23)26)12-11-19(25)21-14-17(22(2)3)18-10-7-13-27-18/h5-10,13,17H,4,11-12,14H2,1-3H3,(H,21,25)
InChIKeyILEOEEMZTQEYSK-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18161890) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18161890
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NCC(c2cccs2)N(C)C)c2ccccc21
InChIInChI=1S/C20H26N4O2S/c1-4-23-15-8-5-6-9-16(15)24(20(23)26)12-11-19(25)21-14-17(22(2)3)18-10-7-13-27-18/h5-10,13,17H,4,11-12,14H2,1-3H3,(H,21,25)
InChIKeyILEOEEMZTQEYSK-UHFFFAOYSA-N
XLogP2.69
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51195731
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N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8504380
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methylindol-1-yl)acetamide
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N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 112503950
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
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N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 18161890) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCn1c(=O)n(CCC(=O)NCC(c2cccs2)N(C)C)c2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is ILEOEEMZTQEYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-23-15-8-5-6-9-16(15)24(20(23)26)12-11-19(25)21-14-17(22(2)3)18-10-7-13-27-18/h5-10,13,17H,4,11-12,14H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18161890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).