[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate

C23H31N3O4S — CID 69154090

IUPAC[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccc(OC(N)=O)cc1)C1CCCCC1
InChIInChI=1S/C23H31N3O4S/c1-17(18-7-3-2-4-8-18)15-25-16-19-9-5-6-10-22(19)26-31(28,29)21-13-11-20(12-14-21)30-23(24)27/h5-6,9-14,17-18,25-26H,2-4,7-8,15-16H2,1H3,(H2,24,27)
InChIKeyHCJAVCTVKUJENU-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.25
Rot. Bonds9

About [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate

[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate (PubChem CID 69154090) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate
PubChem CID69154090
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccc(OC(N)=O)cc1)C1CCCCC1
InChIInChI=1S/C23H31N3O4S/c1-17(18-7-3-2-4-8-18)15-25-16-19-9-5-6-10-22(19)26-31(28,29)21-13-11-20(12-14-21)30-23(24)27/h5-6,9-14,17-18,25-26H,2-4,7-8,15-16H2,1H3,(H2,24,27)
InChIKeyHCJAVCTVKUJENU-UHFFFAOYSA-N
XLogP4.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate with MolForge

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Related Compounds

N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 91030950
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide
CID 91155480
N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 69154834
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]formamide
CID 87716622
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-6-(tetrazol-1-yl)pyridine-3-sulfonamide
CID 91195144
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide
CID 69155111
4-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]benzenesulfonamide
CID 68952611
1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
CID 68950031
1-[(2-cyclopropylpropylamino)methyl]-2-(sulfinatoamino)benzene
CID 91357847
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
CID 36575306
N-[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]nonanamide
CID 68951708

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate?
The IUPAC name of [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate (CID 69154090) is [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate.
What is the SMILES notation for [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate?
The canonical SMILES for [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate is CC(CNCc1ccccc1NS(=O)(=O)c1ccc(OC(N)=O)cc1)C1CCCCC1.
What is the InChIKey of [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate?
The InChIKey is HCJAVCTVKUJENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-17(18-7-3-2-4-8-18)15-25-16-19-9-5-6-10-22(19)26-31(28,29)21-13-11-20(12-14-21)30-23(24)27/h5-6,9-14,17-18,25-26H,2-4,7-8,15-16H2,1H3,(H2,24,27).
What are the key properties of [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate?
[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate has a molecular weight of 445.59 g/mol, XLogP of 4.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate is sourced from PubChem (CID 69154090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).