2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid

C21H26N2O4S — CID 143211613

IUPAC2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid
SMILESC=CCN(CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1)C(=O)O
InChIInChI=1S/C21H26N2O4S/c1-4-14-23(21(24)25)15-13-17-5-9-19(10-6-17)22-28(26,27)20-11-7-18(8-12-20)16(2)3/h4-12,16,22H,1,13-15H2,2-3H3,(H,24,25)
InChIKeyARSRJSIBVQTXBE-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.32
Rot. Bonds9

About 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid

2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid (PubChem CID 143211613) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid.

Molecular Properties

Compound Name2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid
PubChem CID143211613
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid
SMILESC=CCN(CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1)C(=O)O
InChIInChI=1S/C21H26N2O4S/c1-4-14-23(21(24)25)15-13-17-5-9-19(10-6-17)22-28(26,27)20-11-7-18(8-12-20)16(2)3/h4-12,16,22H,1,13-15H2,2-3H3,(H,24,25)
InChIKeyARSRJSIBVQTXBE-UHFFFAOYSA-N
XLogP4.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 11676519
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 67419833
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 69242109
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39349341
2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39365300
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
4-propan-2-yl-N-[4-(1-prop-2-enylpyrrolidin-3-yl)phenyl]benzenesulfonamide;hydrochloride
CID 67071389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid?
The IUPAC name of 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid (CID 143211613) is 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid.
What is the SMILES notation for 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid?
The canonical SMILES for 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid is C=CCN(CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid?
The InChIKey is ARSRJSIBVQTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-14-23(21(24)25)15-13-17-5-9-19(10-6-17)22-28(26,27)20-11-7-18(8-12-20)16(2)3/h4-12,16,22H,1,13-15H2,2-3H3,(H,24,25).
What are the key properties of 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid?
2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid has a molecular weight of 402.52 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid is sourced from PubChem (CID 143211613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).