5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide

C21H36N2O3S — CID 71040479

IUPAC5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide
SMILESCC1C2=CC[C@@H](NC(=O)CCCCNS(=O)(=O)C(C)(C)C)C=C2C(C)C1C
InChIInChI=1S/C21H36N2O3S/c1-14-15(2)18-11-10-17(13-19(18)16(14)3)23-20(24)9-7-8-12-22-27(25,26)21(4,5)6/h11,13-17,22H,7-10,12H2,1-6H3,(H,23,24)/t14?,15?,16?,17-/m1/s1
InChIKeyPXGNGKIKKOIXME-VKFIQFPUSA-N
MW396.60 g/mol
LogP3.54
Rot. Bonds7

About 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide

5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide (PubChem CID 71040479) has the molecular formula C21H36N2O3S and a molecular weight of 396.60 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide
PubChem CID71040479
Molecular FormulaC21H36N2O3S
Molecular Weight396.60 g/mol
Exact Mass396.24
IUPAC Name5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide
SMILESCC1C2=CC[C@@H](NC(=O)CCCCNS(=O)(=O)C(C)(C)C)C=C2C(C)C1C
InChIInChI=1S/C21H36N2O3S/c1-14-15(2)18-11-10-17(13-19(18)16(14)3)23-20(24)9-7-8-12-22-27(25,26)21(4,5)6/h11,13-17,22H,7-10,12H2,1-6H3,(H,23,24)/t14?,15?,16?,17-/m1/s1
InChIKeyPXGNGKIKKOIXME-VKFIQFPUSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
CID 38027250
N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 70892579
N-[(3aR)-1,2-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(tert-butylsulfinylamino)pentanamide
CID 70892607
5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide
CID 70974482
5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
CID 71040281
5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040475
4-(tert-butylsulfonylamino)-N-(4-ethylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 71040554
N-[2-ethenyl-3-[(Z)-prop-1-enyl]-3a,7a-dihydro-1H-inden-1-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89214874
tert-butyl-oxido-[[5-oxo-5-[[(5S)-1,3,5-trimethyl-1,2,3,6-tetrahydroinden-5-yl]amino]pentyl]amino]sulfanium
CID 173489191
N-cyclopentyl-2-[4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
CID 85500370

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide (CID 71040479) is 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide is CC1C2=CC[C@@H](NC(=O)CCCCNS(=O)(=O)C(C)(C)C)C=C2C(C)C1C.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide?
The InChIKey is PXGNGKIKKOIXME-VKFIQFPUSA-N. The full InChI is InChI=1S/C21H36N2O3S/c1-14-15(2)18-11-10-17(13-19(18)16(14)3)23-20(24)9-7-8-12-22-27(25,26)21(4,5)6/h11,13-17,22H,7-10,12H2,1-6H3,(H,23,24)/t14?,15?,16?,17-/m1/s1.
What are the key properties of 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide?
5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide has a molecular weight of 396.60 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide is sourced from PubChem (CID 71040479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).