benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate

C31H48N2O5S — CID 91744623

IUPACbenzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate
SMILESCCCCCCCCCCCCCCOc1ccccc1NS(=O)(=O)CCN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C31H48N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-19-25-37-30-23-18-17-22-29(30)32-39(35,36)26-24-33(2)31(34)38-27-28-20-15-14-16-21-28/h14-18,20-23,32H,3-13,19,24-27H2,1-2H3
InChIKeyBPAMLVZBOJKIJO-UHFFFAOYSA-N
MW560.80 g/mol
LogP7.78
Rot. Bonds21

About benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate

benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate (PubChem CID 91744623) has the molecular formula C31H48N2O5S and a molecular weight of 560.80 g/mol. Its IUPAC name is benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate
PubChem CID91744623
Molecular FormulaC31H48N2O5S
Molecular Weight560.80 g/mol
Exact Mass560.33
IUPAC Namebenzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate
SMILESCCCCCCCCCCCCCCOc1ccccc1NS(=O)(=O)CCN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C31H48N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-19-25-37-30-23-18-17-22-29(30)32-39(35,36)26-24-33(2)31(34)38-27-28-20-15-14-16-21-28/h14-18,20-23,32H,3-13,19,24-27H2,1-2H3
InChIKeyBPAMLVZBOJKIJO-UHFFFAOYSA-N
XLogP7.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.80
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
benzyl N-(3-chlorosulfonylpropyl)-N-methylcarbamate
CID 84715697
nonyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 91699669
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate
CID 54265370
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid
CID 15949326
benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate
CID 58072139
2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
CID 43715705
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
benzyl N-methyl-N-(2-propylheptyl)carbamate
CID 139325208
2-(octylsulfonylamino)-5-(2-phenylethyl)benzoic acid
CID 122178580

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate (CID 91744623) is benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate is CCCCCCCCCCCCCCOc1ccccc1NS(=O)(=O)CCN(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate?
The InChIKey is BPAMLVZBOJKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-19-25-37-30-23-18-17-22-29(30)32-39(35,36)26-24-33(2)31(34)38-27-28-20-15-14-16-21-28/h14-18,20-23,32H,3-13,19,24-27H2,1-2H3.
What are the key properties of benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate?
benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate has a molecular weight of 560.80 g/mol, XLogP of 7.78, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[2-[(2-tetradecoxyphenyl)sulfamoyl]ethyl]carbamate is sourced from PubChem (CID 91744623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).