2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

C19H22N2O3S — CID 1008842

IUPAC2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2
InChIInChI=1S/C19H22N2O3S/c1-24-14-10-7-6-8-12(14)18(23)21-19-16(17(20)22)13-9-4-2-3-5-11-15(13)25-19/h6-8,10H,2-5,9,11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyHEUZLSCDYXDLSM-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.77
Rot. Bonds4

About 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (PubChem CID 1008842) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
PubChem CID1008842
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2
InChIInChI=1S/C19H22N2O3S/c1-24-14-10-7-6-8-12(14)18(23)21-19-16(17(20)22)13-9-4-2-3-5-11-15(13)25-19/h6-8,10H,2-5,9,11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyHEUZLSCDYXDLSM-UHFFFAOYSA-N
XLogP3.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CID 1008842) is 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2.
What is the InChIKey of 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The InChIKey is HEUZLSCDYXDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-24-14-10-7-6-8-12(14)18(23)21-19-16(17(20)22)13-9-4-2-3-5-11-15(13)25-19/h6-8,10H,2-5,9,11H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is sourced from PubChem (CID 1008842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).