N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

C19H22N2O2S — CID 60520037

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C19H22N2O2S/c20-10-6-11-21(14-16-8-5-12-23-16)19(22)18-13-15-7-3-1-2-4-9-17(15)24-18/h5,8,12-13H,1-4,6-7,9,11,14H2
InChIKeyRYVRQQKEGBDUMA-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.56
Rot. Bonds5

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (PubChem CID 60520037) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
PubChem CID60520037
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C19H22N2O2S/c20-10-6-11-21(14-16-8-5-12-23-16)19(22)18-13-15-7-3-1-2-4-9-17(15)24-18/h5,8,12-13H,1-4,6-7,9,11,14H2
InChIKeyRYVRQQKEGBDUMA-UHFFFAOYSA-N
XLogP4.56
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134059712
N-(furan-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71902779
N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51072844
N-(2-cyanoethyl)-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60654395
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 63237302
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 54996784

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (CID 60520037) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is N#CCCN(Cc1ccco1)C(=O)c1cc2c(s1)CCCCCC2.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The InChIKey is RYVRQQKEGBDUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c20-10-6-11-21(14-16-8-5-12-23-16)19(22)18-13-15-7-3-1-2-4-9-17(15)24-18/h5,8,12-13H,1-4,6-7,9,11,14H2.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is sourced from PubChem (CID 60520037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).