N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide

C19H32N2O3S — CID 141028050

IUPACN-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide
SMILESCC(C)(C)C1CCC(NC(=O)CC[C@]2(S(N)(=O)=O)C=CC=CC2)CC1
InChIInChI=1S/C19H32N2O3S/c1-18(2,3)15-7-9-16(10-8-15)21-17(22)11-14-19(25(20,23)24)12-5-4-6-13-19/h4-6,12,15-16H,7-11,13-14H2,1-3H3,(H,21,22)(H2,20,23,24)/t15?,16?,19-/m0/s1
InChIKeyBAXLREYPIPCBJF-RJYAGPCLSA-N
MW368.54 g/mol
LogP3.03
Rot. Bonds5

About N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide

N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide (PubChem CID 141028050) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide
PubChem CID141028050
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC NameN-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide
SMILESCC(C)(C)C1CCC(NC(=O)CC[C@]2(S(N)(=O)=O)C=CC=CC2)CC1
InChIInChI=1S/C19H32N2O3S/c1-18(2,3)15-7-9-16(10-8-15)21-17(22)11-14-19(25(20,23)24)12-5-4-6-13-19/h4-6,12,15-16H,7-11,13-14H2,1-3H3,(H,21,22)(H2,20,23,24)/t15?,16?,19-/m0/s1
InChIKeyBAXLREYPIPCBJF-RJYAGPCLSA-N
XLogP3.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-2-methylcyclohexyl)-2,2-dimethyl-3-(4-sulfamoylcyclohexa-1,3-dien-1-yl)cyclopropane-1-carboxamide
CID 123594133
4-(tert-butylsulfonylamino)-N-(4-cyclohexylcyclohex-3-en-1-yl)cyclohexa-1,5-diene-1-carboxamide
CID 70892680
N-[4-[5-(tert-butylsulfonylamino)pentanoylamino]cyclohexa-2,4-dien-1-yl]cyclohexanecarboxamide
CID 71040593
N-cyclohexyl-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide
CID 142653098
1-heptan-4-yl-N-(2-sulfanylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
CID 163563837

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide (CID 141028050) is N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide is CC(C)(C)C1CCC(NC(=O)CC[C@]2(S(N)(=O)=O)C=CC=CC2)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide?
The InChIKey is BAXLREYPIPCBJF-RJYAGPCLSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-18(2,3)15-7-9-16(10-8-15)21-17(22)11-14-19(25(20,23)24)12-5-4-6-13-19/h4-6,12,15-16H,7-11,13-14H2,1-3H3,(H,21,22)(H2,20,23,24)/t15?,16?,19-/m0/s1.
What are the key properties of N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide?
N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide has a molecular weight of 368.54 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-3-[(1R)-1-sulfamoylcyclohexa-2,4-dien-1-yl]propanamide is sourced from PubChem (CID 141028050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).