3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide

C22H20N4O5S — CID 59855193

IUPAC3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4ccc(C(N)=O)cc4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C22H20N4O5S/c1-29-16-7-14-15(8-17(16)30-2)26(11-25-14)19-9-18(20(32-19)22(24)28)31-10-12-3-5-13(6-4-12)21(23)27/h3-9,11H,10H2,1-2H3,(H2,23,27)(H2,24,28)
InChIKeyWIRYQSSLQYWQGR-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.88
Rot. Bonds8

About 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide

3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 59855193) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID59855193
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC Name3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4ccc(C(N)=O)cc4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C22H20N4O5S/c1-29-16-7-14-15(8-17(16)30-2)26(11-25-14)19-9-18(20(32-19)22(24)28)31-10-12-3-5-13(6-4-12)21(23)27/h3-9,11H,10H2,1-2H3,(H2,23,27)(H2,24,28)
InChIKeyWIRYQSSLQYWQGR-UHFFFAOYSA-N
XLogP2.88
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (CID 59855193) is 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCc4ccc(C(N)=O)cc4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is WIRYQSSLQYWQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S/c1-29-16-7-14-15(8-17(16)30-2)26(11-25-14)19-9-18(20(32-19)22(24)28)31-10-12-3-5-13(6-4-12)21(23)27/h3-9,11H,10H2,1-2H3,(H2,23,27)(H2,24,28).
What are the key properties of 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 59855193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).