pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate

C20H26N2O4S — CID 2247161

IUPACpentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate
SMILESCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-5-6-13-26-20(23)21-17-9-11-18(12-10-17)27(24,25)22-19-14-15(2)7-8-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23)
InChIKeyDATOXDMOTHACME-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.84
Rot. Bonds8

About pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate

pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate (PubChem CID 2247161) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namepentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate
PubChem CID2247161
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Namepentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate
SMILESCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-5-6-13-26-20(23)21-17-9-11-18(12-10-17)27(24,25)22-19-14-15(2)7-8-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23)
InChIKeyDATOXDMOTHACME-UHFFFAOYSA-N
XLogP4.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
octadecyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
CID 19594257
heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate
CID 2250939
butyl N-[4-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]carbamoylamino]phenyl]carbamate
CID 90274382
butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate
CID 2248835
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
CID 54789624
2-(3,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 21173375
2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43915545
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
dimethyl (E)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]anilino]but-2-enedioate
CID 168569316
butyl N-[4-[(3-nitrophenyl)sulfamoyl]phenyl]carbamate
CID 2248452

Frequently Asked Questions

What is the IUPAC name of pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate (CID 2247161) is pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate is CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is DATOXDMOTHACME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-5-6-13-26-20(23)21-17-9-11-18(12-10-17)27(24,25)22-19-14-15(2)7-8-16(19)3/h7-12,14,22H,4-6,13H2,1-3H3,(H,21,23).
What are the key properties of pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate?
pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 390.51 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 2247161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).