N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide

C21H30N2O3S — CID 71040423

IUPACN-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1=C2C(C)CCC2CC(NC(=O)C2=CCC(NS(=O)(=O)C(C)C)C=C2)=C1
InChIInChI=1S/C21H30N2O3S/c1-13(2)27(25,26)23-18-9-7-16(8-10-18)21(24)22-19-11-15(4)20-14(3)5-6-17(20)12-19/h7-9,11,13-14,17-18,23H,5-6,10,12H2,1-4H3,(H,22,24)
InChIKeyDSXGHBAEPIWROT-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.34
Rot. Bonds5

About N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide

N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 71040423) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
PubChem CID71040423
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1=C2C(C)CCC2CC(NC(=O)C2=CCC(NS(=O)(=O)C(C)C)C=C2)=C1
InChIInChI=1S/C21H30N2O3S/c1-13(2)27(25,26)23-18-9-7-16(8-10-18)21(24)22-19-11-15(4)20-14(3)5-6-17(20)12-19/h7-9,11,13-14,17-18,23H,5-6,10,12H2,1-4H3,(H,22,24)
InChIKeyDSXGHBAEPIWROT-UHFFFAOYSA-N
XLogP3.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide 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

(Z,2E)-N-[(3aR)-2-fluoro-3a-methyl-1,2,3,4-tetrahydroinden-5-yl]-2-ethylidene-5-(propan-2-ylsulfinylamino)pent-3-enamide
CID 89154147
4-(tert-butylsulfonylamino)-N-[(3Z)-3-[(2Z)-2-ethylidene-3,4-dimethylcyclopentylidene]prop-1-en-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 89073846
(E)-5-(tert-butylsulfinylamino)-2-ethenyl-N-(1,2,3-trimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)hex-2-enamide
CID 89153848
4-(tert-butylsulfonylamino)-N-[(3Z,5E)-5-(4-methylcyclohexen-1-yl)hepta-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 89154008
N-(3-but-3-enyl-2-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl)-4-(tert-butylsulfinylamino)cyclohexa-1,3-diene-1-carboxamide
CID 89214941
N-[(2Z)-2-[(2Z)-4-methyl-2-prop-2-enylidenecyclopentylidene]ethyl]-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
CID 89215011
(2E,4E)-N-[(1R)-4-(2,3-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]-2-methyl-5-(propan-2-ylsulfonylamino)hepta-2,4,6-trienamide
CID 89215024
(2E,3Z)-5-(tert-butylsulfonylamino)-N-(4-cyclohexylcyclohex-3-en-1-yl)-2-ethylidenehexa-3,5-dienamide
CID 89256548

Frequently Asked Questions

What is the IUPAC name of N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide (CID 71040423) is N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide is CC1=C2C(C)CCC2CC(NC(=O)C2=CCC(NS(=O)(=O)C(C)C)C=C2)=C1.
What is the InChIKey of N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is DSXGHBAEPIWROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-13(2)27(25,26)23-18-9-7-16(8-10-18)21(24)22-19-11-15(4)20-14(3)5-6-17(20)12-19/h7-9,11,13-14,17-18,23H,5-6,10,12H2,1-4H3,(H,22,24).
What are the key properties of N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide?
N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 71040423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).