tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate

C20H30N2O4S — CID 59280950

IUPACtert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/c1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H30N2O4S/c1-20(2,3)26-19(23)21-14-8-10-16-9-7-13-18(15-16)27(24,25)22-17-11-5-4-6-12-17/h7-10,13,15,17,22H,4-6,11-12,14H2,1-3H3,(H,21,23)/b10-8+
InChIKeyOBDLZQAZIAMPPB-CSKARUKUSA-N
MW394.54 g/mol
LogP3.84
Rot. Bonds6

About tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate

tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate (PubChem CID 59280950) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate
PubChem CID59280950
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Nametert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/c1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H30N2O4S/c1-20(2,3)26-19(23)21-14-8-10-16-9-7-13-18(15-16)27(24,25)22-17-11-5-4-6-12-17/h7-10,13,15,17,22H,4-6,11-12,14H2,1-3H3,(H,21,23)/b10-8+
InChIKeyOBDLZQAZIAMPPB-CSKARUKUSA-N
XLogP3.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate 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

(E)-3-[3-(cyclobutylsulfamoyl)phenyl]prop-2-enoic acid
CID 55066889
tert-butyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]prop-2-enyl]carbamate
CID 169468204
methyl 3-[(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 171809039
methyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetate
CID 169468041
tert-butyl N-[3-(3-propanoylphenyl)prop-2-enyl]carbamate
CID 169467804
tert-butyl N-[3-[3-(methylaminomethyl)phenyl]prop-2-enyl]carbamate
CID 169467521
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979
tert-butyl N-[3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]carbamate
CID 169467883
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate (CID 59280950) is tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C/c1cccc(S(=O)(=O)NC2CCCCC2)c1.
What is the InChIKey of tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is OBDLZQAZIAMPPB-CSKARUKUSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-20(2,3)26-19(23)21-14-8-10-16-9-7-13-18(15-16)27(24,25)22-17-11-5-4-6-12-17/h7-10,13,15,17,22H,4-6,11-12,14H2,1-3H3,(H,21,23)/b10-8+.
What are the key properties of tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate?
tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 394.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 59280950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).