(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide

C16H18N2O2S — CID 43605703

IUPAC(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
SMILESNC(CNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c17-16(15-9-5-2-6-10-15)13-18-21(19,20)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13,17H2/b12-11+
InChIKeyAMAXJUDDKFDITR-VAWYXSNFSA-N
MW302.40 g/mol
LogP2.28
Rot. Bonds6

About (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide

(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide (PubChem CID 43605703) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
PubChem CID43605703
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
SMILESNC(CNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c17-16(15-9-5-2-6-10-15)13-18-21(19,20)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13,17H2/b12-11+
InChIKeyAMAXJUDDKFDITR-VAWYXSNFSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide
CID 113317403
(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
CID 73168430
N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
CID 79672706
(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide
CID 71782490
(E)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylethenesulfonamide
CID 51169691
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide
CID 43606431
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
CID 55100588

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide (CID 43605703) is (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide is NC(CNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide?
The InChIKey is AMAXJUDDKFDITR-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-16(15-9-5-2-6-10-15)13-18-21(19,20)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13,17H2/b12-11+.
What are the key properties of (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide?
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 43605703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).