pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate

C18H22N2O4S — CID 2249987

IUPACpentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
SMILESCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-2-3-7-14-24-18(21)19-15-10-12-17(13-11-15)25(22,23)20-16-8-5-4-6-9-16/h4-6,8-13,20H,2-3,7,14H2,1H3,(H,19,21)
InChIKeyZEGCRCTVJYHUSH-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.23
Rot. Bonds8

About pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate

pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate (PubChem CID 2249987) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Namepentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
PubChem CID2249987
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Namepentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
SMILESCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-2-3-7-14-24-18(21)19-15-10-12-17(13-11-15)25(22,23)20-16-8-5-4-6-9-16/h4-6,8-13,20H,2-3,7,14H2,1H3,(H,19,21)
InChIKeyZEGCRCTVJYHUSH-UHFFFAOYSA-N
XLogP4.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pentyl N-[4-(phenylsulfamoyl)phenyl]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

octadecyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
CID 19594257
heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate
CID 2250939
dodecyl N-phenylcarbamate
CID 521818
butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate
CID 2248835
butyl N-[4-[(3-nitrophenyl)sulfamoyl]phenyl]carbamate
CID 2248452
pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate
CID 2247161
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
[3-carboxy-2-[[4-(octoxycarbonylamino)phenyl]sulfonylamino]propyl]-trimethylazanium
CID 69173184
butyl N-(phenylsulfamoyl)carbamate
CID 131732175
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223

Frequently Asked Questions

What is the IUPAC name of pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate?
The IUPAC name of pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate (CID 2249987) is pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate?
The canonical SMILES for pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate is CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate?
The InChIKey is ZEGCRCTVJYHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-2-3-7-14-24-18(21)19-15-10-12-17(13-11-15)25(22,23)20-16-8-5-4-6-9-16/h4-6,8-13,20H,2-3,7,14H2,1H3,(H,19,21).
What are the key properties of pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate?
pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate has a molecular weight of 362.45 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 2249987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).