N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide

C24H29N3OS — CID 122178766

IUPACN-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCc3sccc3C2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H29N3OS/c28-24(22-15-18-3-1-2-4-21(18)26-22)25-20-7-5-17(6-8-20)9-12-27-13-10-23-19(16-27)11-14-29-23/h1-4,11,14-15,17,20,26H,5-10,12-13,16H2,(H,25,28)
InChIKeyCCNIXDLQIKAMFP-UHFFFAOYSA-N
MW407.58 g/mol
LogP4.97
Rot. Bonds5

About N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide

N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 122178766) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID122178766
Molecular FormulaC24H29N3OS
Molecular Weight407.58 g/mol
Exact Mass407.20
IUPAC NameN-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCc3sccc3C2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H29N3OS/c28-24(22-15-18-3-1-2-4-21(18)26-22)25-20-7-5-17(6-8-20)9-12-27-13-10-23-19(16-27)11-14-29-23/h1-4,11,14-15,17,20,26H,5-10,12-13,16H2,(H,25,28)
InChIKeyCCNIXDLQIKAMFP-UHFFFAOYSA-N
XLogP4.97
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide (CID 122178766) is N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide is O=C(NC1CCC(CCN2CCc3sccc3C2)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is CCNIXDLQIKAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS/c28-24(22-15-18-3-1-2-4-21(18)26-22)25-20-7-5-17(6-8-20)9-12-27-13-10-23-19(16-27)11-14-29-23/h1-4,11,14-15,17,20,26H,5-10,12-13,16H2,(H,25,28).
What are the key properties of N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide?
N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 122178766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).