N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C24H24N4O4S — CID 50751908

IUPACN-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccs2)n3C)cc1OC
InChIInChI=1S/C24H24N4O4S/c1-28-18-8-7-16(26-23(29)15-6-9-19(31-2)20(13-15)32-3)14-17(18)27-22(28)10-11-25-24(30)21-5-4-12-33-21/h4-9,12-14H,10-11H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyUDVRGQSZZLZHMC-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.88
Rot. Bonds8

About N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 50751908) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID50751908
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccs2)n3C)cc1OC
InChIInChI=1S/C24H24N4O4S/c1-28-18-8-7-16(26-23(29)15-6-9-19(31-2)20(13-15)32-3)14-17(18)27-22(28)10-11-25-24(30)21-5-4-12-33-21/h4-9,12-14H,10-11H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyUDVRGQSZZLZHMC-UHFFFAOYSA-N
XLogP3.88
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751833
N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751969
N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 46270417
2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236037
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46270391
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
CID 46270397
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 50751908) is N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide is COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccs2)n3C)cc1OC.
What is the InChIKey of N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is UDVRGQSZZLZHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-28-18-8-7-16(26-23(29)15-6-9-19(31-2)20(13-15)32-3)14-17(18)27-22(28)10-11-25-24(30)21-5-4-12-33-21/h4-9,12-14H,10-11H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 50751908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).