N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide

C21H24N4OS — CID 56524906

IUPACN-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide
SMILESN#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCSCC1)CCCC2
InChIInChI=1S/C21H24N4OS/c22-14-18-17-8-4-5-9-19(17)25(16-6-2-1-3-7-16)21(18)23-20(26)15-24-10-12-27-13-11-24/h1-3,6-7H,4-5,8-13,15H2,(H,23,26)
InChIKeyFAARDUGUGRFTQQ-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.22
Rot. Bonds4

About N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide

N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide (PubChem CID 56524906) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide
PubChem CID56524906
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide
SMILESN#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCSCC1)CCCC2
InChIInChI=1S/C21H24N4OS/c22-14-18-17-8-4-5-9-19(17)25(16-6-2-1-3-7-16)21(18)23-20(26)15-24-10-12-27-13-11-24/h1-3,6-7H,4-5,8-13,15H2,(H,23,26)
InChIKeyFAARDUGUGRFTQQ-UHFFFAOYSA-N
XLogP3.22
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 36945713
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 55680231
2-[[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 36951138
2-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42957450
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
CID 31905625
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 31905963
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 36927302
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 39537783
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
CID 31905556
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 31905935
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17437206
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 47083042

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide (CID 56524906) is N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide is N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCSCC1)CCCC2.
What is the InChIKey of N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide?
The InChIKey is FAARDUGUGRFTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c22-14-18-17-8-4-5-9-19(17)25(16-6-2-1-3-7-16)21(18)23-20(26)15-24-10-12-27-13-11-24/h1-3,6-7H,4-5,8-13,15H2,(H,23,26).
What are the key properties of N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide?
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide has a molecular weight of 380.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 56524906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).